SCHEMBL9069548

SCHEMBL9069548

CCCCCCCCCCCCCCCC(=O)C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(C(=O)CCCCCCCCCCCCCCC)[C@@]1(O)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.36
P2RY2 P41231 2/20 0.35
P2RY4 P51582 1/20 0.35
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33

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
SCHEMBL9069521 0.96 P2RY2 (0.35) P2RY12P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL4074082 0.82 SLC28A1 (0.40) P2RY12P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL5531485 0.82 SLC28A1 (0.40) P2RY12P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL4083526 0.82 SLC28A1 (0.40) P2RY12P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL4083099 0.82 SLC28A1 (0.40) P2RY12P2RY2P2RY4SLC28A1SLC28A2
SCHEMBL9069650 0.81 PDE3A (0.40) SLC29A1
SCHEMBL6223334 0.80 P2RY12 (0.34) P2RY12SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL5527658 0.79 P2RY14 (0.34) P2RY12
SCHEMBL9069639 0.77 PDE3A (0.41) SLC29A1
SCHEMBL3486287 0.76 ENTPD2 (0.35) P2RY12

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-5583117-A CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS; DIABETES PRO-NEURON, INC. (US) 1996-12-10 US disclosed