SCHEMBL8495437

SCHEMBL8495437

COc1ccc([C@@H]2CN(c3ccccc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
GRM2 Q14416 1/20 0.50
THRB P10828 1/20 0.49
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
CYP19A1 P11511 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8495439 1.00 ATM (0.51) ATMGRM2THRBCTSGCMA1
SCHEMBL8494181 0.92 POLB (0.50) ATMGRM2DDB1CRBNALDH1A1
SCHEMBL2800406 0.92 POLB (0.50) ATMGRM2DDB1CRBNALDH1A1
SCHEMBL225262 0.84 KMT2A (0.47) GRM2DDB1CRBNALDH1A1MAPT
Water SCHEMBL2910884 0.82 KMT2A (0.45) GRM2DDB1CRBNALDH1A1MAPT
SCHEMBL10691676 0.77 HTR2C (0.60) DDB1CRBNALDH1A1MAPTKMT2A
SCHEMBL6964905 0.73 FADS1 (0.50) CTSGCMA1ALDH1A1MAPTCYP19A1
SCHEMBL6312665 0.73 MAPT (0.56) ATMTHRBALDH1A1MAPTKMT2A
SCHEMBL14140969 0.72 POLB (0.53) GRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL14140972 0.72 POLB (0.53) GRM2ALDH1A1MAPTNPC1RAB9A

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
EP-0720599-B1 HYDROXY-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORP (US) 1999-05-19 EP claimed