SCHEMBL9548728

SCHEMBL9548728

CC(=O)OC[C@]1(C#N)CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.41
NT5M Q9NPB1 1/20 0.39
RNASE1 P07998 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9548701 0.87 TK1 (0.43) TK1
SCHEMBL9548763 0.85 TK1 (0.49) TK1ALDH1A1
SCHEMBL9548777 0.83 P2RY2 (0.35) ALDH1A1
SCHEMBL9548781 0.83 P2RY2 (0.35) ALDH1A1
SCHEMBL9548644 0.79 TK1 (0.45) TK1NT5M
SCHEMBL9548647 0.79 TK1 (0.45) TK1NT5M
SCHEMBL15184742 0.77 TK1 (0.50) TK1ALDH1A1
SCHEMBL17739409 0.76 TK1 (0.48) TK1ALDH1A1
SCHEMBL9548702 0.74 HINT1 (0.43)
SCHEMBL9548873 0.74 TOP2A (0.40) TK1NT5M

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