SCHEMBL11864720

SCHEMBL11864720

CCCCCCCCCCCCOP(=S)(CCOC(C)=O)OCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.50
LPAR2 Q9HBW0 9/20 0.50
ALDH1A1 P00352 1/20 0.50
LPAR1 Q92633 6/20 0.46
TSHR P16473 2/20 0.42
NAAA Q02083 1/20 0.42
CES2 O00748 1/20 0.41
LPAR6 P43657 3/20 0.40
LPAR4 Q99677 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL11863242 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11862286 0.85 LPAR3 (0.49) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11866799 0.81 ALDH1A1 (0.52) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11868528 0.81 ALDH1A1 (0.52) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL2044766 0.81 ALDH1A1 (0.52) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11866643 0.80 ALDH1A1 (0.47) ALDH1A1TSHR
Dodecylacetate SCHEMBL11708063 0.80 ALDH1A1 (0.65) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL10410367 0.80 LPAR3 (0.50) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11868194 0.80 LPAR3 (0.50) LPAR3LPAR2ALDH1A1LPAR1TSHR
SCHEMBL11858413 0.80 LPAR3 (0.50) LPAR3LPAR2ALDH1A1LPAR1TSHR

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-3962378-A Preparation of phosphorus-organic esters HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed