SCHEMBL5664890

SCHEMBL5664890

CC(O)c1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.61
CCR1 P32246 3/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CCR4 P51679 2/20 0.55
CCR5 P51681 2/20 0.55
KCNH2 Q12809 1/20 0.55
METAP2 P50579 2/20 0.46
MCL1 Q07820 1/20 0.46
BCL2A1 Q16548 1/20 0.46

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 SCHEMBL8076965 0.81 CCR2 (0.72) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5664916 0.81 CCR2 (0.81) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5665414 0.81 CCR2 (0.62) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5664893 0.80 CCR2 (0.61) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5665149 0.78 CCR2 (0.56) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5666963 0.75 CCR2 (0.66) CCR2CCR1CYP1A2CYP3A4CYP2D6
Diphenylmethanol SCHEMBL8067191 0.74 CCR2 (0.77) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5666662 0.74 PTGDR2 (0.55) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5666650 0.74 CCR2 (0.88) CCR2CCR1CYP1A2CYP3A4CYP2D6
Diphenylmethanol SCHEMBL8075196 0.73 CCR2 (0.75) CCR2CCR1CYP1A2CYP3A4CYP2D6

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 12 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 claimed
EP-0799198-A4 1997-10-15 EP claimed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP claimed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
EP-0904069-A4 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORP (US) 2006-08-23 EP disclosed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0904069-A1 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-31 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1997035567-A1 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed