SCHEMBL9045101

SCHEMBL9045101

C[CH]CCCc1c(F)cccc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALB P02768 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CD38 P28907 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL9046010 0.88 ALB (0.45) GPR52CES2CES1BCHEALB
SCHEMBL9048247 0.84 GPR52 (0.40) GPR52SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9045397 0.82 GABRA1 (0.35) GPR52KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL9045394 0.82 AKR1B1 (0.39) KMT2ACES2CES1SMN1; SMN2CD38
SCHEMBL9046816 0.81 KMT2A (0.41) KMT2AGPR52CES2CES1BCHE
SCHEMBL9047469 0.81 CA2 (0.34) GPR52SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL9057953 0.79 GABRA1 (0.41) SMN1; SMN2LMNA
SCHEMBL9045988 0.76 GABRA1 (0.34) KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9046829 0.74 EED (0.40) SMN1; SMN2KDM4EALDH1A1
SCHEMBL9045669 0.74 TAAR1 (0.58) KMT2ASMN1; SMN2KDM4EGAA

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed