SCHEMBL7065738

SCHEMBL7065738

N#Cc1ccc([AsH]C(=O)c2ccc(N3CCCCC3)nc2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.44
PPARG P37231 2/20 0.43
CACNA1H O95180 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UBE2T Q9NPD8 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6813666 0.80 FASN (0.55) FASN
SCHEMBL4850532 0.72 UBE2T (0.61) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL184277 0.72 UBE2T (0.61) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL1989630 0.70 UBE2T (0.63) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL3051541 0.70 CNR2 (0.54) KDM4EALDH1A1
SCHEMBL29784322 0.70 UBE2T (0.63) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL6818554 0.70 ALB (0.63) FASNPPARGALDH1A1
SCHEMBL11159513 0.70 ALDH1A1 (0.56) KDM4EALDH1A1POLBALOX15HSD17B10
SCHEMBL6919537 0.69 XDH (0.44) PPARG
SCHEMBL3048925 0.69 KDM4E (0.54) KDM4EALDH1A1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed