SCHEMBL7048128

SCHEMBL7048128

CO/N=C1/CCCc2c1c(C)c(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.45
ABCB11 O95342 5/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7050840 0.91 CCR2 (0.41) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7045477 0.89 CCR2 (0.44) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7051845 0.88 ABCB11 (0.40) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7050228 0.87 CCR2 (0.39) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7954542 0.87 CCR2 (0.39) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7047535 0.85 MRGPRX4 (0.41) CCR2ABCB11MAPTRAB9AHTT
SCHEMBL7048313 0.84 HDAC1 (0.52) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7050361 0.82 TSHR (0.43) CCR2ABCB11LMNAMAPTRAB9A
SCHEMBL7158730 0.79 RAB9A (0.46) ABCB11LMNAMAPTRAB9AGAA
SCHEMBL7048131 0.75 HDAC1 (0.52) CCR2ABCB11LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed