SCHEMBL9045795

SCHEMBL9045795

C[CH]CCCc1ccccc1C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CES1 P23141 1/20 0.37
MLYCD O95822 3/20 0.36
FOLH1 Q04609 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SLC16A3 O15427 2/20 0.34
KDM4E B2RXH2 1/20 0.34
IDO1 P14902 1/20 0.33
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
PLA2G2D Q9UNK4 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
SCHEMBL3266778 0.83 TSHR (0.41) HTTCES1MLYCDMAPK1ALDH1A1
SCHEMBL8615957 0.81 LMNA (0.41) HTTFOLH1ALDH1A1LMNASLC16A3
SCHEMBL9048128 0.81 FOLH1 (0.56) FOLH1ALDH1A1SLC16A3
SCHEMBL9624253 0.80 LIPG (0.50) MLYCDALDH1A1LMNAFAAH
SCHEMBL10341072 0.80 LIPG (0.50) MLYCDALDH1A1LMNAFAAH
SCHEMBL9637940 0.80 LIPG (0.50) MLYCDALDH1A1LMNAFAAH
SCHEMBL9747292 0.79 CES1 (0.42) HTTCES1MLYCDFOLH1MAPK1
SCHEMBL10717585 0.77 CES1 (0.47) HTTCES1MLYCDMAPK1LMNA
SCHEMBL32665929 0.77 CES1 (0.47) HTTCES1MLYCDMAPK1LMNA
SCHEMBL8957447 0.73 HPGD (0.47) HTTCES1FOLH1MAPK1ALDH1A1

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