SCHEMBL180161

SCHEMBL180161

C[C@@](O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
FDPS P14324 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
TRPA1 O75762 1/20 0.46
MMP8 P22894 4/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.44
MAPK1 P28482 1/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL1275761 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL3361395 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
Acetic Acid SCHEMBL2878826 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
Succinic Acid SCHEMBL28336754 0.92 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL4359977 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL2927672 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL2164933 0.83 PPARG (0.58) SMN1; SMN2HIF1ASLC6A2CYP2C19CYP1A2
SCHEMBL2164934 0.83 PPARG (0.58) SMN1; SMN2HIF1ASLC6A2CYP2C19CYP1A2
SCHEMBL1059557 0.83 SLC6A2 (0.52) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS
SCHEMBL23572607 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ASLC6A2TAAR1FDPS

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-111741956-B Antiparasitic depsipeptides 硕腾服务有限责任公司 2023-07-07 CN disclosed
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed