SCHEMBL27482256

SCHEMBL27482256

O=CC(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
CASP1 P29466 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.43
ACP3 P15309 3/20 0.43
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
EPHX2 P34913 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38

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
SCHEMBL27346979 0.84 CYP2C19 (0.47) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL24258027 0.81 CYP2C19 (0.46) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL656946 0.80 HPGD (0.62) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL10354936 0.78 HPGD (0.60) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL28782552 0.78 ALDH1A1 (0.46) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL614835 0.78 CYP2C9 (0.46) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL11846737 0.78 MMP12 (0.39) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL1520324 0.77 HPGD (0.59) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL6743921 0.77 CYP2C9 (0.59) CYP2C9CYP2C19HPGDHTTCASP1
SCHEMBL5720984 0.77 HPGD (0.59) CYP2C9CYP2C19HPGDHTTCASP1

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-1188407-C Imidazole derivatives with inhabiting activity to transterasa and preparing method thereof LG CHEMICAL LTD (KR) 2005-02-09 CN disclosed
CN-1279680-A Imidazole derivatives having farnesyl transferase inhibitory activity and process for producing the same LG CHEMICAL LTD (KR) 2001-01-10 CN disclosed