SCHEMBL29617440

SCHEMBL29617440

CCCCCCCCOP(=O)(Cc1ccc(Cl)cc1)OCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.44
▸ LPAR2 Q9HBW0 4/20 0.43
▸ LPAR3 Q9UBY5 3/20 0.43
▸ LPAR1 Q92633 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ PPARA Q07869 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ S1PR2 O95136 2/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 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
SCHEMBL27042150 0.94 CYP3A4 (0.42) ENPP2SMN1; SMN2ALDH1A1HPGD
SCHEMBL19602994 0.86 ENPP2 (0.45) ENPP2LPAR2LPAR3LPAR1
SCHEMBL22187687 0.86 ENPP2 (0.45) ENPP2LPAR2LPAR3LPAR1
SCHEMBL21357931 0.84 CETP (0.53) LPAR2LPAR3LPAR1
SCHEMBL21359778 0.84 CETP (0.53) LPAR2LPAR3LPAR1
SCHEMBL7004790 0.81 LPAR3 (0.43) ENPP2LPAR2LPAR3LPAR1KCNH2
SCHEMBL9300384 0.80 CETP (0.49) —
SCHEMBL917064 0.80 NPY5R (0.42) SMN1; SMN2ALDH1A1
SCHEMBL7001953 0.79 LPAR3 (0.41) ENPP2LPAR2LPAR3LPAR1
SCHEMBL19904743 0.79 CETP (0.41) ENPP2SMN1; SMN2KCNH2PPARA

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-3524644-B1 POLYPHENYLENE ETHER RESIN COMPOSITION ASAHI CHEMICAL IND (JP) 2022-05-11 — — EP disclosed
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