SCHEMBL8620449

SCHEMBL8620449

CC(NC(=O)[C@@H](O)CCC(=O)O)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 8/20 0.65
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 2/20 0.41
CNR1 P21554 4/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CNR2 P34972 3/20 0.39

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
SCHEMBL8623136 0.84 FDFT1 (0.72) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8624778 0.84 FDFT1 (0.72) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8623565 0.83 FDFT1 (0.71) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8619341 0.82 FDFT1 (0.61) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8623829 0.82 FDFT1 (0.61) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8621992 0.81 FDFT1 (0.62) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8620980 0.80 FDFT1 (0.82) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8625596 0.80 FDFT1 (0.82) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8620583 0.80 FDFT1 (0.69) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8644888 0.79 FDFT1 (0.76) FDFT1CYP1A2CYP2C9CYP2C19MEN1

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
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 US disclosed