SCHEMBL5604388

SCHEMBL5604388

COc1c(C)c(C(=O)O)c(C)c(OC)c1C=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CYP1B1 Q16678 1/20 0.48
CXCL12 P48061 2/20 0.47
CXCR4 P61073 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL5605096 0.87 MAOA (0.55) MAOBMAOALMNAMAPTRECQL
SCHEMBL29214717 0.84 CYP1A1 (0.55) MAOBCYP1B1CXCL12
SCHEMBL498833 0.75 MAPT (0.44) MAOBMAOALMNAMAPTHPGD
SCHEMBL498792 0.73 MAOB (0.53) MAOBMAOAMAPTCXCL12CXCR4
SCHEMBL7177488 0.73 CYP3A4 (0.45) MAOBLMNAMAPTHPGDNPC1
SCHEMBL11813928 0.73 MAOB (0.58) MAOBMAOALMNAMAPTHPGD
SCHEMBL11813922 0.73 MAOB (0.58) MAOBMAOALMNAMAPTHPGD
SCHEMBL8146123 0.72 MAPT (0.59) MAOBLMNAMAPTHPGDNPC1
SCHEMBL3969744 0.72 CTSL (0.55) MAOBMAPTABCG2CA1CA2
SCHEMBL498929 0.72 ABCB1 (0.55) MAOBMAOALMNAMAPTCXCL12

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
EP-1525177-B1 SUBSTITUTED 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-06-27 EP claimed