Sugi Predict

Sugi Predict / Compounds / SCHEMBL8625596

SCHEMBL8625596

SCHEMBL8625596

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

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 9/20 0.82
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CNR1 P21554 7/20 0.41
▸ CNR2 P34972 5/20 0.40

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
SCHEMBL8620980 1.00 FDFT1 (0.82) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8622950 0.90 FDFT1 (0.79) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8622842 0.90 FDFT1 (1.00) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8623147 0.90 FDFT1 (1.00) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8625025 0.89 FDFT1 (0.78) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8622542 0.89 FDFT1 (0.78) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8644888 0.88 FDFT1 (0.76) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8623726 0.88 FDFT1 (1.00) FDFT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8619460 0.87 FDFT1 (0.62) FDFT1
SCHEMBL8623136 0.86 FDFT1 (0.72) 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