SCHEMBL9548693

SCHEMBL9548693

CC(=O)OC[C@]1(C#N)O[C@H](n2ccc(=O)[nH]c2=O)CC1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.36
P2RY2 P41231 5/20 0.36
P2RY4 P51582 4/20 0.36
P2RY6 Q15077 2/20 0.36
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
P2RY14 Q15391 1/20 0.33
ENTPD2 Q9Y5L3 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
SCHEMBL9548689 1.00 DUT (0.36) DUTP2RY2P2RY4P2RY6SLC28A1
SCHEMBL9548616 0.84 SLC28A1 (0.42) DUTP2RY2P2RY4P2RY6SLC28A1
SCHEMBL9548904 0.84 SLC28A1 (0.42) DUTP2RY2P2RY4P2RY6SLC28A1
SCHEMBL9548614 0.84 SLC28A1 (0.42) DUTP2RY2P2RY4P2RY6SLC28A1
SCHEMBL9548678 0.84 DUT (0.38) DUTP2RY6TDP1
SCHEMBL9548669 0.84 DUT (0.38) DUTP2RY6TDP1
SCHEMBL9548647 0.83 TK1 (0.45)
SCHEMBL9548644 0.83 TK1 (0.45)
SCHEMBL9548579 0.81 PDE3A (0.41) P2RY2P2RY4P2RY6SLC29A1
SCHEMBL9548581 0.81 PDE3A (0.41) P2RY2P2RY4P2RY6SLC29A1

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