SCHEMBL9500079

SCHEMBL9500079

CCCCCC(=O)OCOP(=O)(O)C(O)(CCC(C)N)P(=O)(OCOC(=O)CCCCC)OCOC(=O)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
LPAR3 Q9UBY5 4/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR6 P43657 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
P2RY10 O00398 9/20 0.40
GPR174 Q9BXC1 5/20 0.40
GPR34 Q9UPC5 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL2598936 0.84 ENPP2 (0.40) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL2599116 0.78 ENPP2 (0.43) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL5615800 0.70 DGKA (0.55) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL5615418 0.69 DGKA (0.53) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL2458691 0.69 FDPS (0.53)
SCHEMBL2453742 0.68 FDPS (0.41)
SCHEMBL25685154 0.68 ENPP2 (0.67) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL2597966 0.67 ENPP2 (0.41) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL5615415 0.66 DGKA (0.53) ENPP2LPAR3LPAR1LPAR6LPAR4
SCHEMBL5615799 0.66 DGKA (0.57) ENPP2LPAR3LPAR1LPAR6LPAR4

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
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US claimed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed