SCHEMBL8837544

SCHEMBL8837544

COc1ccc2[nH]c(CCC(=O)O)c(CCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
AKR1C2 P52895 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29354738 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL3103301 0.85 MEN1 (0.81) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL8837588 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL11982925 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL8837552 0.73 LMNA (0.61) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL852717 0.72 AKR1C2 (0.76) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL8229566 0.72 MAPT (0.87) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL4463990 0.72 PLA2G4A (0.49) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL7908389 0.69 MAPT (0.53) MEN1KMT2AALDH1A1MAPTAPEX1
SCHEMBL8272455 0.68 MAPT (0.72) MEN1KMT2AALDH1A1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968809-A Chemical synthesis method of melatonin 太阳树(莆田)生物医药有限公司 2022-01-25 CN claimed
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US claimed
EP-0330625-B1 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I F L O S A S DI GIORGIO E ALD (IT) 1995-12-20 EP claimed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 EP claimed
CN-113968809-A Chemical synthesis method of melatonin 太阳树(莆田)生物医药有限公司 2022-01-25 CN disclosed
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US disclosed
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US disclosed
EP-0330625-B1 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I F L O S A S DI GIORGIO E ALD (IT) 1995-12-20 EP disclosed
US-5122535-A Mixing with adenosine; treating AIDS IFLO S.A.S. (IT) 1992-06-16 US disclosed
US-5122535-A Mixing with adenosine; treating AIDS IFLO S.A.S. (IT) 1992-06-16 US disclosed
EP-0330625-A3 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1991-09-18 EP disclosed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 EP disclosed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 EP disclosed