SCHEMBL31442307

SCHEMBL31442307

CCCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 11/20 0.76
GPR174 Q9BXC1 9/20 0.76
GPR34 Q9UPC5 6/20 0.76
LPAR1 Q92633 6/20 0.73
ENPP2 Q13822 2/20 0.73
LPAR4 Q99677 2/20 0.73
LPAR5 Q9H1C0 2/20 0.73
LPAR2 Q9HBW0 2/20 0.73
LPAR3 Q9UBY5 2/20 0.73
CES2 O00748 1/20 0.73
LPAR6 P43657 1/20 0.73
TRPV1 Q8NER1 1/20 0.73

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
SCHEMBL25354353 1.00 P2RY10 (0.76) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL22493901 1.00 P2RY10 (0.76) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL31442523 1.00 P2RY10 (0.76) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL274999 1.00 P2RY10 (0.76) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL14924218 1.00 P2RY10 (0.76) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL30913715 0.98 LPAR1 (0.73) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL32666125 0.97 P2RY10 (0.71) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL275621 0.97 P2RY10 (0.71) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL17929051 0.97 P2RY10 (0.71) P2RY10GPR174GPR34LPAR1ENPP2
SCHEMBL275624 0.94 LPAR1 (0.67) P2RY10GPR174GPR34LPAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072741-A1 PRESERVATIVES FOR MOLECULAR SAMPLE ANALYSIS WITH SAMPLE COLLECTION DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO disclosed
US-12247981-B2 Method of diagnosing cancer based on lipidomic analysis of a body fluid FONS JK GROUP, A.S. (CZ) 2025-03-11 US disclosed