SCHEMBL528349

SCHEMBL528349

CCCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2OCC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.48
KCNK3 O14649 2/20 0.45
KCNK9 Q9NPC2 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MCL1 Q07820 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL529245 0.95 MEN1 (0.52) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528369 0.90 MEN1 (0.52) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528613 0.88 MAPT (0.54) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL527894 0.88 RXFP1 (0.49) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528514 0.87 L3MBTL1 (0.49) RXFP1KMT2ARAB9AKCNK3KCNK9
SCHEMBL528985 0.86 MAPT (0.54) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL528572 0.86 RXFP1 (0.48) RXFP1MEN1KMT2AHSD17B10RAB9A
SCHEMBL528515 0.84 ALDH1A1 (0.52) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL528340 0.84 FFAR1 (0.51) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL528851 0.82 RXFP1 (0.46) RXFP1MEN1KMT2AHSD17B10RAB9A

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed