SCHEMBL1623429

SCHEMBL1623429

CCCCC(O)(CCCC)OP(=O)(OC(O)(CCCC)CCCC)OC(O)(CCCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.47
FDPS P14324 13/20 0.43
GGPS1 O95749 7/20 0.43
CYP3A4 P08684 1/20 0.39
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL1623430 0.84 SMPD1 (0.60) SMPD1FDPSGGPS1LPAR1LPAR3
SCHEMBL7169856 0.75 SMPD1 (0.42) SMPD1FDPSGGPS1CYP3A4LPAR1
SCHEMBL1287808 0.74 SMPD1 (0.58) SMPD1FDPSGGPS1LPAR1LPAR3
SCHEMBL5909126 0.73 CYP3A4 (0.44) SMPD1FDPSGGPS1CYP3A4
SCHEMBL5908891 0.73 CYP3A4 (0.39) SMPD1FDPSGGPS1CYP3A4LPAR1
SCHEMBL2889917 0.73 SMPD1 (0.47) SMPD1FDPSGGPS1CYP3A4LPAR1
SCHEMBL6933008 0.73 CYP3A4 (0.44) SMPD1FDPSGGPS1CYP3A4
SCHEMBL11268460 0.72 SMPD1 (0.51) SMPD1FDPSGGPS1LPAR1LPAR3
SCHEMBL11661453 0.72 FDPS (0.36) SMPD1FDPSGGPS1
SCHEMBL9659789 0.71 SMPD1 (0.50) SMPD1FDPSGGPS1CYP3A4LPAR1

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-7928151-B2 Resin composition for shell mold and resin coated sand HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-04-19 US disclosed
US-20090093567-A1 RESIN COMPOSITION FOR SHELL MOLD AND RESIN COATED SAND HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-04-09 US disclosed