SCHEMBL7072402

SCHEMBL7072402

Cc1c(OC(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.59
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGES2 Q9H7Z7 1/20 0.47
ABCB11 O95342 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL6307042 0.82 CCR2 (0.77) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6302552 0.76 CCR2 (0.62) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL7076059 0.76 CCR2 (0.68) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL7076535 0.76 CCR2 (0.56) CCR2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7077464 0.76 CCR2 (0.53) CCR2ABCB11
SCHEMBL11466032 0.75 PTGDR2 (0.57) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL15512442 0.75 CMA1 (0.50) MAPTALDH1A1HPGDHTT
SCHEMBL9239991 0.75 CCR2 (0.67) CCR2LMNAMAPTGAAHTT
SCHEMBL7077386 0.74 CCR2 (0.56) CCR2LMNAMAPTALDH1A1CYP1A2
SCHEMBL6599738 0.74 CCR2 (1.00) CCR2LMNAMAPTALDH1A1CYP1A2

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