SCHEMBL14237100

SCHEMBL14237100

CC1CC=C(C(=O)O)C(C)(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00

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
SCHEMBL14237119 0.87 CCR2 (1.00) CCR2
SCHEMBL14237101 0.84 CCR2 (1.00) CCR2
SCHEMBL14237138 0.82 CCR2 (1.00) CCR2
SCHEMBL14315519 0.81 CCR2 (1.00) CCR2
SCHEMBL1780947 0.81 CCR2 (1.00) CCR2
SCHEMBL14237191 0.79 CCR2 (1.00) CCR2
SCHEMBL1779544 0.79 CCR2 (1.00) CCR2
SCHEMBL1781364 0.79 CCR2 (1.00) CCR2
SCHEMBL1780101 0.77 CCR2 (1.00) CCR2
SCHEMBL14237103 0.77 CCR2 (0.74) CCR2

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
US-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US claimed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP claimed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed