SCHEMBL18554386

SCHEMBL18554386

O=C(Nc1cccc(OC(F)(F)F)c1F)C1CCN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 19/20 0.49
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL18554385 1.00 CFD (0.49) CFDCYP2C9
SCHEMBL18578247 0.84 CFD (0.64) CFDCYP2C9
SCHEMBL18554430 0.76 EPHX2 (0.43) CFDCYP2C9
SCHEMBL18554429 0.76 EPHX2 (0.43) CFDCYP2C9
SCHEMBL29177412 0.76 GAA (0.44) CFDCYP2C9
Hydrochloric Acid SCHEMBL20378179 0.75 EPHX2 (0.43) CFDCYP2C9
Hydrochloric Acid SCHEMBL20378176 0.75 EPHX2 (0.43) CFDCYP2C9
SCHEMBL19233854 0.74 CFD (0.44) CFDCYP2C9
SCHEMBL29841056 0.73 CFD (0.60) CFDCYP2C9
SCHEMBL28710431 0.73 CFD (0.60) CFDCYP2C9

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-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
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