SCHEMBL7680923

SCHEMBL7680923

COC(=O)c1cc2oc(C(=O)O)cc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.65
MAPT P10636 7/20 0.62
LMNA P02545 1/20 0.60
CCR2 P41597 10/20 0.54
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7679941 0.88 ABCB11 (0.78) ABCB11CCR2
SCHEMBL7679550 0.87 MAPT (0.62) ABCB11MAPTLMNACCR2TP53
SCHEMBL7681355 0.86 MAPT (0.61) ABCB11MAPTLMNACCR2TP53
SCHEMBL7508693 0.85 MAPT (0.60) ABCB11MAPTLMNACCR2TP53
SCHEMBL7511032 0.84 MAPT (0.59) ABCB11MAPTLMNACCR2TP53
SCHEMBL7683084 0.83 MAPT (0.61) ABCB11MAPTLMNACCR2TP53
SCHEMBL7676152 0.83 MAPT (0.58) ABCB11MAPTLMNACCR2TP53
SCHEMBL7517302 0.82 MAPT (0.80) ABCB11MAPTLMNATP53THRB
SCHEMBL7682571 0.81 ABCB11 (0.73) ABCB11CCR2
SCHEMBL7691746 0.79 ABCB11 (1.00) ABCB11MAPTLMNACCR2

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
US-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed