SCHEMBL5459840

SCHEMBL5459840

CCCCOP(=O)(O)OP(=O)(OCCN)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ LPAR3 Q9UBY5 4/20 0.43
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR2 Q9HBW0 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLA2G2C Q5R387 1/20 0.43
▸ GABBR2 O75899 1/20 0.39
▸ GABRR1 P24046 1/20 0.39
▸ GABBR1 Q9UBS5 1/20 0.39
▸ PLA2G2D Q9UNK4 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
SCHEMBL6062486 0.91 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
Ammonia Solution, Strong SCHEMBL435167 0.89 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL29720506 0.89 CYP3A4 (0.61) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL5455630 0.88 CYP3A4 (0.55) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11801488 0.87 CYP3A4 (0.59) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL30834684 0.87 BTN3A1 (0.38) CYP3A4PLA2G2CGABBR2GABBR1
SCHEMBL11490229 0.84 CYP3A4 (0.55) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL5088049 0.84 LPAR3 (0.62) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL2854074 0.84 LPAR3 (0.62) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL5457783 0.83 CYP3A4 (0.77) CYP3A4LPAR3LPAR1LPAR2TSHR

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-20070210476-A1 Machinable Resin Molded Product, Material For Forming The Same, And Model Made Of The Same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-13 — — US disclosed
EP-1728832-A1 MOLDING OF RESIN FOR CUTTING OPERATION, MATERIAL FOR FORMATION THEREOF AND MODEL Sanyo Chemical Industries, Ltd. (JP) 2006-12-06 — — EP disclosed
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