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SCHEMBL8081653

SCHEMBL8081653

CCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.58
▸ CCR1 P32246 3/20 0.58
▸ ACLY P53396 6/20 0.49
▸ KDM1A O60341 4/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGDR Q13258 1/20 0.41
▸ PTGDR2 Q9Y5Y4 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
Diphenylmethanol SCHEMBL8076937 0.92 CCR2 (0.55) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL8076935 0.86 CCR2 (0.50) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL30410481 0.84 CCR2 (0.79) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL5665013 0.84 CCR2 (0.79) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL9118596 0.82 GRIK1 (0.49) MEN1KMT2A
SCHEMBL5666654 0.80 CCR1 (0.59) CCR2CCR1ACLYKDM1AMEN1
Diphenylmethanol SCHEMBL8075173 0.78 CCR2 (0.70) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL5667420 0.77 CCR2 (0.86) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL5666963 0.77 CCR2 (0.66) CCR2CCR1ACLYKDM1AMEN1
SCHEMBL5664918 0.77 CCR2 (0.66) CCR2CCR1ACLYMEN1GAA

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-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 — — EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 — — US disclosed