SCHEMBL7079549

SCHEMBL7079549

Cc1ccc2c(c1)cc(OC(=O)O)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.54
CCR2 P41597 16/20 0.54
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7072404 0.89 CCR2 (0.67) ABCB11CCR2
SCHEMBL7076054 0.87 ABCB11 (0.67) ABCB11CCR2
SCHEMBL7076520 0.87 CCR2 (0.53) ABCB11CCR2
SCHEMBL9239991 0.84 CCR2 (0.67) ABCB11CCR2LMNAGAAMAPT
SCHEMBL7076795 0.83 CCR2 (0.71) ABCB11CCR2
SCHEMBL7071931 0.82 CCR2 (0.72) ABCB11CCR2HTTSMN1; SMN2
SCHEMBL6303108 0.82 CCR2 (0.79) ABCB11CCR2
SCHEMBL5682947 0.82 CCR2 (0.57) ABCB11CCR2LMNAGAAMAPT
SCHEMBL7074180 0.81 CCR2 (0.68) ABCB11CCR2
SCHEMBL7076337 0.79 CCR2 (0.69) ABCB11CCR2

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
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP claimed