SCHEMBL7246205

SCHEMBL7246205

O=C(O)c1cc2cc(OCc3cc(O)ccc3Cl)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.49
ABCB11 O95342 3/20 0.49
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.39
SRD5A2 P31213 1/20 0.39
PLA2G4A P47712 1/20 0.39
MCL1 Q07820 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL7489141 0.87 CCR2 (0.60) CCR2ABCB11
SCHEMBL7465471 0.87 SRD5A2 (0.54) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7472885 0.86 CCR2 (0.48) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7525789 0.85 ABCB11 (0.49) CCR2ABCB11SRD5A2PLA2G4AMCL1
SCHEMBL7455739 0.85 CCR2 (0.57) CCR2ABCB11SRD5A2PLA2G4ALTB4R
SCHEMBL7466879 0.84 EDNRB (0.48) CCR2ABCB11SRD5A2PLA2G4AMCL1
SCHEMBL7468637 0.84 CCR2 (0.47) CCR2ABCB11SRD5A2PLA2G4AMCL1
SCHEMBL7462839 0.84 CCR2 (0.46) CCR2ABCB11ARSRD5A2PLA2G4A
SCHEMBL7467129 0.83 CCR2 (0.54) CCR2SRD5A2
SCHEMBL7458022 0.82 CCR2 (0.52) CCR2ABCB11ARSRD5A2LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670388-B1 Fatty acid synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-12-30 US claimed
WO-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO claimed
US-6670388-B1 Fatty acid synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-12-30 US disclosed
WO-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO disclosed