SCHEMBL9545122

SCHEMBL9545122

C[C@@H](Oc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1)c1ccccn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.84
ALOX5 P09917 8/20 0.76
CYP3A4 P08684 3/20 0.76
CYP2C9 P11712 3/20 0.76
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
PTGES O14684 1/20 0.67
USP2 O75604 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
PTGS2 P35354 1/20 0.67
MTOR P42345 1/20 0.67
RECQL P46063 1/20 0.67
RAB9A P51151 1/20 0.67
BLM P54132 1/20 0.67

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
SCHEMBL9542083 1.00 ALOX5AP (0.84) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL3105537 0.90 ALOX5AP (0.69) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL3096211 0.90 ALOX5AP (0.69) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL9400805 0.89 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9KDM4E
SCHEMBL167773 0.88 ALOX5AP (0.79) ALOX5APCYP2C9
SCHEMBL170021 0.88 ALOX5AP (0.79) ALOX5APCYP2C9
SCHEMBL9306139 0.87 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL169285 0.87 ALOX5AP (0.70) ALOX5APALOX5CYP3A4CYP2C9LTC4S
SCHEMBL167235 0.87 ALOX5AP (0.70) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9305053 0.87 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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
WO-1993016069-A1 (AZAAROMATICALKOXY)INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1993-08-19 WO disclosed