SCHEMBL7707845

SCHEMBL7707845

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)O)cc2n1Cc1ccc([Cr])cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.37
ALOX5AP P20292 1/20 0.35
AGTR1 P30556 5/20 0.35
AGTR2 P50052 5/20 0.35
OXER1 Q8TDS5 2/20 0.34
FABP4 P15090 1/20 0.33

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
SCHEMBL7418814 0.90 OXER1 (0.41) SLC22A12ALOX5APOXER1
SCHEMBL7425988 0.89 AGTR1 (0.36) SLC22A12ALOX5APAGTR1AGTR2OXER1
SCHEMBL7425218 0.89 MEN1 (0.42) AGTR1AGTR2
SCHEMBL7427469 0.89 AGTR1 (0.40) SLC22A12ALOX5APAGTR1AGTR2OXER1
SCHEMBL7427533 0.87 ALOX5AP (0.46) SLC22A12ALOX5AP
SCHEMBL7707842 0.87 ALOX5AP (0.45) SLC22A12ALOX5AP
SCHEMBL7418558 0.83 SLC22A12 (0.50) SLC22A12OXER1
SCHEMBL7420996 0.82 LMNA (0.40) ALOX5APOXER1
SCHEMBL7421489 0.81 SLC22A12 (0.43) SLC22A12AGTR1AGTR2FABP4
SCHEMBL7472730 0.80 MEN1 (0.39) ALOX5AP

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-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed