SCHEMBL8932052

SCHEMBL8932052

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@]2(CNC(=O)C(F)(F)F)O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.38
RNASE1 P07998 1/20 0.37
NT5M Q9NPB1 1/20 0.36

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
SCHEMBL8931997 0.89 TK1 (0.35) TK1
SCHEMBL6830069 0.83 TK1 (0.38) TK1RNASE1
SCHEMBL6827522 0.83 TK1 (0.38) TK1RNASE1
SCHEMBL8931903 0.82 RNASE1 (0.34) TK1RNASE1NT5M
SCHEMBL8931993 0.81 DTYMK (0.35)
SCHEMBL8932097 0.77 TK1 (0.39) TK1RNASE1NT5M
SCHEMBL8932073 0.76 TK1 (0.34) TK1
SCHEMBL9160680 0.76 RNASE1 (0.41) TK1RNASE1
SCHEMBL8329542 0.76 TK1 (0.37) TK1
SCHEMBL374090 0.75 LMNA (0.38) TK1RNASE1

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-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed