SCHEMBL1723700

SCHEMBL1723700

CC(C)c1cccc2c1c(SC(C)(C)C)c(CC(C)(C)C(=O)Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.56
ALOX5 P09917 10/20 0.56
PTGES2 Q9H7Z7 5/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
MEN1 O00255 3/20 0.56
USP2 O75604 3/20 0.56
TP53 P04637 3/20 0.56
CYP1A2 P05177 3/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
ALOX15 P16050 3/20 0.56
MAPK1 P28482 3/20 0.56
RECQL P46063 3/20 0.56
BLM P54132 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 3/20 0.56
PTGES O14684 2/20 0.56

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
SCHEMBL1193211 0.80 ALOX5 (0.85) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL9218685 0.77 ALOX5AP (0.69) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL9212529 0.76 PTGES2 (0.62) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL9185228 0.74 ALOX5AP (0.39) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL29351963 0.72 PTGES2 (1.00) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL503001 0.72 PTGES2 (1.00) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL16857038 0.70 ALOX5 (1.00) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL9721017 0.70 PTGES2 (0.51) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL1723699 0.70 PTGES2 (0.46) ALOX5APALOX5PTGES2CYP3A4CYP2C9
SCHEMBL13447685 0.70 ALOX5 (0.81) ALOX5APALOX5PTGES2CYP3A4CYP2C9

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-2404904-A1 5-lipoxygenase-activating protein (FLAP) inhibitors Amira Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed