SCHEMBL7054760

SCHEMBL7054760

O=C1Nc2ccc(Cl)c(C(F)(F)F)c2C(=O)C1=NO

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
NOTUM Q6P988 2/20 0.34
TGM2 P21980 2/20 0.30
GALR3 O60755 1/20 0.30

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
SCHEMBL7054756 1.00 CES1 (0.46) CES1NOTUMTGM2GALR3
SCHEMBL7051542 0.89 CES1 (0.50) CES1NOTUMTGM2
SCHEMBL7051540 0.89 CES1 (0.50) CES1NOTUMTGM2
SCHEMBL7052248 0.84 LRRK2 (0.32) CES1GALR3
SCHEMBL7052247 0.84 LRRK2 (0.32) CES1GALR3
SCHEMBL7052368 0.83 ALDH1A1 (0.32) CES1TGM2GALR3
SCHEMBL7052365 0.83 ALDH1A1 (0.32) CES1TGM2GALR3
SCHEMBL7054468 0.81 CES1 (0.40) CES1NOTUMTGM2
SCHEMBL7048273 0.81 CES1 (0.67) CES1TGM2GALR3
SCHEMBL7048275 0.81 CES1 (0.67) CES1TGM2GALR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed