SCHEMBL27782841

SCHEMBL27782841

NC(C(=O)O)(C(=O)c1ccccc1)C(Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CES1 P23141 1/20 0.37
ACP3 P15309 2/20 0.37
HPGDS O60760 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
PRCP P42785 1/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3349207 0.79 CES1 (0.45) NPC1RAB9ACES1MAPTSMN1; SMN2
SCHEMBL3349927 0.72 CYP1A2 (0.52) CES1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3345524 0.72 CES1 (0.50) CES1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9622340 0.69 CES1 (0.42) NPC1RAB9ACES1MAPTSMN1; SMN2
SCHEMBL3345739 0.68 CES1 (0.46) NPC1RAB9ACES1MAPTSMN1; SMN2
SCHEMBL9756273 0.67 CES1 (0.45) PTGS2CES1MAPTSMN1; SMN2CYP1A2
SCHEMBL29141154 0.66 CYP1A2 (0.42) SMN1; SMN2CYP1A2CYP2C19EPHX1LMNA
SCHEMBL3767845 0.66 PTGS2 (0.50) PTGS2ACP3MAPTSMN1; SMN2PRCP
SCHEMBL29242313 0.66 SMN1; SMN2 (0.55) NPC1RAB9ACTDSP1CES1MAPT
SCHEMBL9561521 0.66 TSHR (0.47) CYP2C9NPC1CES1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101555211-B Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid ZHEJIANG JIUZHOU PHARM CO LTD 2012-01-25 CN disclosed
CN-101555211-A Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid ZHEJIANG JIUZHOU PHARMACEUTICA (CN) 2009-10-14 CN disclosed