SCHEMBL6276019

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccc(C(C)C)cc5)nc43)[C@H](O)[C@@H]2OP(OC)N(C(C)C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	1/20	0.40

▸	TAS1R3	Q7RTX0	1/20	0.39

▸	TAS1R1	Q7RTX1	1/20	0.39

▸	ADORA3	P0DMS8	9/20	0.38

▸	ADORA1	P30542	9/20	0.38

▸	ADORA2B	P29275	8/20	0.38

▸	TAAR1	Q96RJ0	2/20	0.38

▸	ADORA2A	P29274	2/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	NPC1	O15118	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	RAB9A	P51151	1/20	0.34

▸	IMPDH2	P12268	1/20	0.34

▸	IMPDH1	P20839	1/20	0.34

▸	HINT1	P49773	1/20	0.34

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
SCHEMBL2113227	0.91	TYMP (0.45)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL2113415	0.83	TAS1R3 (0.40)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL6275071	0.83	KDM4E (0.38)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL441421	0.79	TYMP (0.48)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL2115347	0.79	TAS1R3 (0.54)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL442576	0.78	KDM4E (0.38)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL22787252	0.77	TYMP (0.42)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL22787253	0.77	TYMP (0.42)	TYMPTAS1R3TAS1R1ADORA3ADORA1
SCHEMBL6930727	0.77	KDM4E (0.38)	TYMPTAS1R3TAS1R1TAAR1ALDH1A1
SCHEMBL5963306	0.77	TYMP (0.44)	TYMPTAS1R3TAS1R1ADORA3ADORA1

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
WO-2005115410-A2	CONTEXT DEPENDENT INHIBITORS OF CYTIDINE DEAMINASES AND USES THEREOF	UNIVERSITY OF ROCHESTER (US)	2005-12-08	—	—	WO	disclosed