SCHEMBL14718161

SCHEMBL14718161

CCCCCCN1C=CN(C)C1OP(=O)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 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
SCHEMBL14718203 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717676 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14718027 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717466 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14718057 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717470 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717475 1.00 LPAR3 (0.33) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717060 0.99 TSHR (0.34) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14717577 0.94 TSHR (0.35) TSHRCYP3A4
SCHEMBL14717528 0.91 TSHR (0.35) LPAR3LPAR1LPAR2TSHRCYP3A4

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