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Sugi Predict / Compounds / SCHEMBL8501943

SCHEMBL8501943

SCHEMBL8501943

CC(F)(C/C(=N\O)C1(Cl)C=CC(c2ccccc2)C=C1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL6843332 0.77 NR4A2 (0.33) CYP1A2CYP2C19
SCHEMBL8526227 0.70 NR4A2 (0.32) —
SCHEMBL8525874 0.70 NR4A2 (0.32) CYP2C19
SCHEMBL3583056 0.70 GRM1 (0.35) CYP2C19
SCHEMBL8499414 0.68 MAPT (0.32) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8663987 0.64 NR4A2 (0.33) CYP1A2CYP2C19
SCHEMBL8525557 0.64 DHFR (0.31) —
SCHEMBL6709305 0.63 EDNRA (0.34) CYP2C19
SCHEMBL7147660 0.62 USP2 (0.31) —
SCHEMBL10715608 0.61 SMN1; SMN2 (0.41) CYP3A4CYP2C19HTT

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
EP-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 — — EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 — — WO disclosed