SCHEMBL14237196

SCHEMBL14237196

Cc1ccc(C2(C)CCCC=C2C(=O)O)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 1.00
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1783426 0.82 CCR2 (1.00) CCR2
SCHEMBL1779949 0.79 CCR2 (1.00) CCR2
SCHEMBL14237091 0.78 CCR2 (1.00) CCR2
SCHEMBL14237246 0.76 CCR2 (1.00) CCR2
SCHEMBL14237191 0.75 CCR2 (1.00) CCR2
Bicarbonate SCHEMBL14237197 0.70 CCR2 (0.53) CCR2CYP2C19
SCHEMBL14237165 0.68 CCR2 (0.81) CCR2
SCHEMBL1780150 0.68 CCR2 (0.74) CCR2
SCHEMBL10110060 0.66 AKR1C1 (0.57) CCR2CYP2C19
SCHEMBL1781951 0.65 CCR2 (0.81) 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