SCHEMBL9548781

SCHEMBL9548781

CC(=O)OC[C@@]1(C#N)CC[C@@H](n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 5/20 0.35
P2RY4 P51582 4/20 0.35
P2RY6 Q15077 2/20 0.35
DUT P33316 4/20 0.33
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RY14 Q15391 1/20 0.32
ENTPD2 Q9Y5L3 1/20 0.32

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
SCHEMBL9548777 1.00 P2RY2 (0.35) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL9548824 0.84 SLC28A1 (0.40) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL9548830 0.84 SLC28A1 (0.40) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL9548728 0.83 TK1 (0.41) ALDH1A1
SCHEMBL9548867 0.80 PDE3A (0.41) SLC29A1MAPT
SCHEMBL9548693 0.79 DUT (0.36) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL9548689 0.79 DUT (0.36) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL22665908 0.75 SLC28A1 (0.39) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL22110471 0.75 SLC28A1 (0.39) P2RY2P2RY4P2RY6DUTSLC28A1
SCHEMBL9548740 0.75 MAPT (0.32) MAPT

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed