SCHEMBL9712494

SCHEMBL9712494

COc1cccc([C]=O)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5911523 0.86 CA12 (0.53) MAPTHPGDPOLBLMNANPC1
SCHEMBL9712451 0.80 HTT (0.42) MAPTHPGDLMNANPC1CYP1A2
SCHEMBL9712500 0.80 SRD5A2 (0.44) HPGDCA1CA2
SCHEMBL6864175 0.79 CA12 (0.47) LMNANPC1CA12CA1CA2
SCHEMBL2677857 0.78 CES2 (0.53) MAPTHPGDNPC1CA12CA1
SCHEMBL17842454 0.73 MAPT (0.68) MAPTHPGDPOLBLMNANPC1
SCHEMBL5207406 0.73 CTSD (0.53) MAPTCA12CA1CA2CA7
SCHEMBL9712350 0.73 NR4A1 (0.50) MAPTHPGDPOLBNPC1SMN1; SMN2
SCHEMBL6210902 0.72 CA12 (0.41) MAPTHPGDLMNACA12CA1
SCHEMBL29851511 0.72 CA12 (0.59) MAPTHPGDLMNANPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed