SCHEMBL7121763

SCHEMBL7121763

N#Cc1ccc([AsH]C(=O)c2cc3ccccc3n2Cc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.58
CCR9 P51686 2/20 0.50
PLA2G10 O15496 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ALB P02768 1/20 0.43
SRC P12931 1/20 0.40
CNR1 P21554 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
F10 P00742 1/20 0.39
CFTR P13569 1/20 0.39
PPARG P37231 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
SCHEMBL7423846 0.81 CCR2 (0.74) CCR2CCR9PLA2G10GPR35NOD2
SCHEMBL6834081 0.80 CCR2 (0.55) CCR2CCR9PLA2G10ALBCNR1
SCHEMBL6433076 0.79 CCR2 (0.77) CCR2CCR9PLA2G10GPR35F10
SCHEMBL5378162 0.76 CCR2 (1.00) CCR2PLA2G10GPR35SRCNOD2
SCHEMBL21822281 0.73 CCR9 (0.69) CCR2CCR9GPR35
SCHEMBL28593764 0.73 CCR9 (0.72) CCR2CCR9GPR35
SCHEMBL31689688 0.73 CCR9 (0.69) CCR2CCR9GPR35
SCHEMBL31689701 0.70 CCR9 (0.58) CCR2CCR9PLA2G10GPR35ALB
SCHEMBL21822124 0.70 CCR9 (0.58) CCR2CCR9PLA2G10GPR35ALB
SCHEMBL6436016 0.70 CCR2 (1.00) CCR2CCR9GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed