SCHEMBL14765664

SCHEMBL14765664

CCCCCCSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C2O)c(=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 10/20 1.00
P2RY6 Q15077 11/20 0.95
P2RY4 P51582 5/20 0.65

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
SCHEMBL14765541 1.00 P2RY2 (1.00) P2RY2P2RY6P2RY4
SCHEMBL12714933 0.86 P2RY2 (0.76) P2RY2P2RY6P2RY4
SCHEMBL14017299 0.84 P2RY2 (0.72) P2RY2P2RY6P2RY4
SCHEMBL3029457 0.82 P2RY2 (0.97) P2RY2P2RY6P2RY4
SCHEMBL3029446 0.82 P2RY2 (0.97) P2RY2P2RY6P2RY4
SCHEMBL31260663 0.82 P2RY2 (0.78) P2RY2P2RY6P2RY4
SCHEMBL31260661 0.82 P2RY2 (0.78) P2RY2P2RY6P2RY4
Cetyl Alcohol SCHEMBL9511379 0.82 P2RY2 (0.70) P2RY2P2RY6P2RY4
Dodecanol SCHEMBL9509966 0.82 P2RY2 (0.70) P2RY2P2RY6P2RY4
SCHEMBL31260665 0.81 P2RY2 (0.77) P2RY2P2RY6P2RY4

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-8394355-B2 Use of UTP for the diagnosis of stenoses and other conditions of restricted blood flow P2 SCIENCE APS (DK) 2013-03-12 US disclosed