SCHEMBL14717398

SCHEMBL14717398

CCCCCN1C=CN(C)C1OP(=O)(OCCC)OCCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
TSHR P16473 1/20 0.33
LPAR5 Q9H1C0 1/20 0.30

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
SCHEMBL14718177 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717494 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717684 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14718210 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717907 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717296 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717203 0.99 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717425 0.96 CYP3A4 (0.38) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14716825 0.94 CYP3A4 (0.44) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717558 0.93 CYP3A4 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053287-A1 SYNTHETIC LUBRICANT THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2013-02-28 US disclosed