SCHEMBL14718064

SCHEMBL14718064

CCCCCCN1C=CN(CC)C1OP(=O)(OCCC)OCCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
TSHR P16473 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL14717632 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717518 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717935 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717402 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14716897 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717797 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717569 1.00 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717321 0.99 CYP3A4 (0.37) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14717588 0.94 CYP3A4 (0.43) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14718252 0.94 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