SCHEMBL5665407

SCHEMBL5665407

COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.79
CCR1 P32246 4/20 0.79
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CCR4 P51679 1/20 0.54
CCR5 P51681 1/20 0.54
KCNH2 Q12809 1/20 0.54
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM1A O60341 2/20 0.51
MEN1 O00255 1/20 0.51
ACLY P53396 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
AVPR2 P30518 1/20 0.50
GPR27 Q9NS67 1/20 0.50

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 SCHEMBL8067122 0.94 CCR2 (0.70) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5666650 0.92 CCR2 (0.88) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5667420 0.91 CCR2 (0.86) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5665401 0.90 CCR2 (0.85) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5664916 0.88 CCR2 (0.81) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL8740786 0.88 CCR2 (1.00) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL5665185 0.88 CCR2 (1.00) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL8067117 0.88 CCR2 (0.61) CCR2CCR1CYP2C9GAAKMT2A
SCHEMBL5670223 0.87 CCR2 (0.77) CCR2CCR1CYP1A2CYP3A4CYP2D6
SCHEMBL30410481 0.87 CCR2 (0.79) 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 9 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-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