SCHEMBL528514

SCHEMBL528514

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2OC)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 3/20 0.49
TP53 P04637 3/20 0.49
RAB9A P51151 2/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
MCL1 Q07820 1/20 0.45

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 0.91 MEN1 (0.52) MAPTSMN1; SMN2MAPK1TP53RAB9A
SCHEMBL528468 0.91 L3MBTL1 (0.57) L3MBTL1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL528401 0.90 MAPT (0.47) L3MBTL1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL528340 0.89 FFAR1 (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL528660 0.89 L3MBTL1 (0.48) L3MBTL1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL529284 0.89 ALDH1A1 (0.56) L3MBTL1MAPTSMN1; SMN2THRBALDH1A1
SCHEMBL528937 0.89 MAPT (0.47) L3MBTL1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL528274 0.87 L3MBTL1 (0.47) L3MBTL1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL528349 0.87 RXFP1 (0.49) MAPTSMN1; SMN2MAPK1TP53RAB9A
SCHEMBL529397 0.86 MAPT (0.57) MAPTSMN1; SMN2TP53RAB9ANPC1

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