SCHEMBL8837643

SCHEMBL8837643

CCC(CCC(C(C)=O)C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL5545141 0.84 POLB (0.44) POLBALDH1A1TP53KDM4EGLA
SCHEMBL9503721 0.78 ALDH1A1 (0.49) POLBALDH1A1TP53KDM4EGLA
SCHEMBL6364898 0.78 TDP1 (0.52) POLBALDH1A1TP53KDM4EGLA
SCHEMBL11685677 0.77 TNF (0.52) POLBALDH1A1TP53KDM4EGLA
SCHEMBL14114811 0.76 TDP1 (0.53) POLBALDH1A1TP53KDM4EGLA
SCHEMBL7342436 0.76 MMP2 (0.52) ALDH1A1
SCHEMBL15537671 0.76 TNF (0.46) POLBALDH1A1TP53KDM4EGLA
SCHEMBL14479254 0.75 TDP1 (0.44) POLBALDH1A1TP53KDM4EGLA
SCHEMBL15241103 0.75 TDP1 (0.46) POLBALDH1A1TP53KDM4EGLA
SCHEMBL7054656 0.75 TDP1 (0.46) POLBALDH1A1TP53KDM4EGLA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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