SCHEMBL17964368

COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2C(OP(=O)(O)Oc2ccccc2Cl)[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)Oc2ccccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.33

▸	TYMS	P04818	1/20	0.31

▸	TK1	P04183	3/20	0.31

▸	POLA1	P09884	1/20	0.30

▸	POLD1	P28340	1/20	0.30

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
SCHEMBL31683982	1.00	POLB (0.33)	POLBTYMSTK1POLA1POLD1
SCHEMBL30744244	0.97	POLB (0.31)	POLB
SCHEMBL17964372	0.93	POLB (0.31)	POLB
SCHEMBL17964370	0.93	POLB (0.31)	POLB
SCHEMBL31683961	0.93	POLB (0.31)	POLB
SCHEMBL16574822	0.92	POLB (0.34)	POLBTYMSTK1
SCHEMBL17964380	0.92	TERT (0.31)	—
SCHEMBL31684002	0.92	TERT (0.31)	—
SCHEMBL17964377	0.92	TERT (0.31)	—
SCHEMBL30744270	0.91	KDM4E (0.36)	—

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-9409952-B2	Peptide-compound cyclization method	CHUGAI SEIYAKU KABUSHIKI KAISHA (JP)	2016-08-09	—	—	US	disclosed