SCHEMBL8931956

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@]2(C[N+](=O)[O-])O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TK1	P04183	7/20	0.34

▸	NT5M	Q9NPB1	1/20	0.34

▸	RNASE1	P07998	1/20	0.34

▸	TK2	O00142	3/20	0.34

▸	TOP2A	P11388	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL8931985	0.94	TK1 (0.33)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931967	0.91	RNASE1 (0.37)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8932056	0.91	TK1 (0.35)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931937	0.91	TK1 (0.36)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931926	0.91	TK1 (0.36)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931941	0.91	TK1 (0.36)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931992	0.89	TK1 (0.35)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8932082	0.89	TK1 (0.35)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8932060	0.88	NT5M (0.35)	TK1NT5MRNASE1TK2TOP2A
SCHEMBL8931903	0.86	RNASE1 (0.34)	TK1NT5MRNASE1TK2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5681940-A	CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS	ICN PHARMACEUTICALS (US)	1997-10-28	—	—	US	disclosed