SCHEMBL5665013

SCHEMBL5665013

O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.79
CCR1 P32246 4/20 0.79
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CCR4 P51679 1/20 0.56
CCR5 P51681 1/20 0.56
KCNH2 Q12809 1/20 0.56
ACLY P53396 5/20 0.55
KDM1A O60341 2/20 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
SCHEMBL30410481 1.00 CCR2 (0.79) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5667420 0.93 CCR2 (0.86) CCR2CCR1MEN1GAAKMT2A
Diphenylmethanol SCHEMBL8075173 0.93 CCR2 (0.70) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5666650 0.92 CCR2 (0.88) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5666146 0.92 CCR2 (0.67) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5664918 0.91 CCR2 (0.66) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5666963 0.91 CCR2 (0.66) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5665401 0.90 CCR2 (0.85) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5664916 0.89 CCR2 (0.81) CCR2CCR1MEN1GAAKMT2A
SCHEMBL5665185 0.89 CCR2 (1.00) CCR2CCR1MEN1GAAKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904069-A4 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORP (US) 2006-08-23 EP claimed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP claimed
EP-0904069-A1 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-31 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-1997035567-A1 PLA2 INHIBITORS OF ANGIOGENESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US claimed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
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-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 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
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 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
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed