SCHEMBL528340

SCHEMBL528340

CCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
F2R P25116 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TYK2 P29597 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL529397 0.91 MAPT (0.57) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL528672 0.91 SMO (0.46) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL528200 0.90 ALDH1A1 (0.55) FFAR1SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL528514 0.89 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL528087 0.88 KMT2A (0.55) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL528262 0.88 MAPT (0.42) FFAR1SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL529245 0.88 MEN1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL528626 0.88 ALDH1A1 (0.46) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL528702 0.88 MAPT (0.58) FFAR1SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL528331 0.88 FFAR1 (0.49) FFAR1SMN1; SMN2HPGDALDH1A1NPC1

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