SCHEMBL9650487

SCHEMBL9650487

O=C(COCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NR4A2 P43354 2/20 0.50
GRM5 P41594 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL9650496 0.93 MAPT (0.62) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL657234 0.88 TDP1 (0.55) L3MBTL1MAPTKMT2AMEN1HPGD
Chloroform SCHEMBL28141196 0.85 NPC1 (0.49) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL4888739 0.83 GRM5 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4888735 0.83 NR4A2 (0.56) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL4689393 0.81 RAB9A (0.56) L3MBTL1MAPTKMT2AMEN1NPC1
SCHEMBL1759771 0.80 NR4A2 (0.50) L3MBTL1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL10901370 0.80 L3MBTL1 (0.59) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL9414534 0.78 MRGPRX4 (0.61) L3MBTL1MAPTKMT2AMEN1HPGD
SCHEMBL8759518 0.78 ALOX5 (0.59) MAPTKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120783-A Hydrotalcite, zinc compound, magnesium hydroxide and beta-diketone compound and/or phosphite compound; discoloration inhibition, radiation transparent and heat resistance KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1992-06-09 US disclosed
US-4265903-A HYPOTENSIVE, ADRENOLYTIC BEIERSDORF AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed