SCHEMBL8601168

SCHEMBL8601168

CCCCCCCCC1(OP(=O)(OC2(CCCCCCCC)CCCCC2)OC2(CCCCCCCC)CCCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.33
CETP P11597 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
LPAR3 Q9UBY5 6/20 0.32
LPAR2 Q9HBW0 3/20 0.32
LPAR1 Q92633 2/20 0.32
CYP3A4 P08684 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL2150182 0.93 CYP3A4 (0.34) CETPCYP3A4
SCHEMBL2150530 0.87 CYP3A4 (0.35) CYP3A4
SCHEMBL11030099 0.86 SMPD1 (0.42) SMPD1LPAR3LPAR2LPAR1
SCHEMBL29291760 0.83 TSHR (0.39) CYP3A4
SCHEMBL2149759 0.83
SCHEMBL956338 0.79 TSHR (0.35) CETPSIRT2
SCHEMBL29039981 0.79 TSHR (0.35) CETPSIRT2
SCHEMBL2150185 0.79 SMPD1 (0.37) SMPD1CETPLPAR3LPAR2LPAR1
SCHEMBL2149661 0.79 SMPD1 (0.33) SMPD1CETPLPAR3LPAR2LPAR1
SCHEMBL13078128 0.77 TSHR (0.33) CETPSIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599251-B1 Use in viscous coupling of a fluid comprising a polyorganosiloxane and a viscosity inhibitor COSMO OIL CO LTD (JP) 1998-02-04 EP disclosed
EP-0599251-A1 Fluid composition for use in viscous coupling COSMO OIL COMPANY, LTD (JP) 1994-06-01 EP disclosed
US-4425223-A AN ORGANIC PHOSPHITE OR PHOSPHATE ESTER AND A SULFONIC ACID ATLANTIC RICHFIELD COMPANY (US) 1984-01-10 US disclosed