SCHEMBL29285083

SCHEMBL29285083

CCOC(=O)c1cccc(C2CCCCN2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
ALOX5 P09917 1/20 0.44
ATM Q13315 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.42
GALR1 P47211 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
SCHEMBL839470 0.82 PRMT5 (0.45) ALDH1A1SLC6A3ATMCYP4F2CYP4A11
SCHEMBL10311104 0.82 PRMT5 (0.45) ALDH1A1SLC6A3ATMCYP4F2CYP4A11
SCHEMBL5390528 0.81 KMO (0.59) ALDH1A1MAPK1ATMCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL10277298 0.81 PRMT5 (0.45) ALDH1A1SLC6A3ATMCYP4F2CYP4A11
SCHEMBL1790402 0.80 KMO (0.61) ALDH1A1MAPK1ATMCYP4F2CYP4A11
SCHEMBL21806476 0.80 CA12 (0.49) ALDH1A1NPC1RAB9A
SCHEMBL231497 0.79 MAPT (0.48) ALOX5ATM
SCHEMBL1273971 0.78 HTR2C (0.54) ATMCYP4F2CYP4A11KDM4ENPC1
SCHEMBL28781927 0.78 CYP2C19 (0.51) ALDH1A1MAPK1ATMALOX15SMN1; SMN2
SCHEMBL10311097 0.77 CHRNB2 (0.46) ALDH1A1ALOX15NPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265696-A Aryl carboxylic acid compound and application thereof in preparation of Mrgpr X < 4 > inhibitor 深圳博瑞医药科技有限公司 2024-06-28 CN disclosed