SCHEMBL31151002

SCHEMBL31151002

Cc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
GRM5 P41594 8/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GBA1 P04062 4/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL533505 1.00 RAB9A (0.62) RAB9AGRM5KMT2AMEN1GBA1
SCHEMBL29394473 0.90 LCK (0.47) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5093445 0.84 RAB9A (0.52) RAB9AGRM5KMT2AMEN1GBA1
SCHEMBL29510654 0.84 ALDH1A1 (0.51) GRM5KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL22523913 0.84 LCK (0.43) RAB9AKMT2AMEN1NPC1
SCHEMBL1712579 0.84 ALDH1A1 (0.51) GRM5KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14622117 0.84 LCK (0.43) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL12710236 0.83 LCK (0.42) RAB9AKMT2AMEN1NPC1
SCHEMBL31009974 0.83 LCK (0.42) RAB9AKMT2AMEN1NPC1
SCHEMBL29340731 0.83 LCK (0.42) RAB9AKMT2AMEN1NPC1

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
CN-118619932-A GPR40 agonist and preparation method and application thereof 广东众生睿创生物科技有限公司 2024-09-10 CN disclosed