SCHEMBL28827056

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2Nc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	9/20	0.54

▸	HPGD	P15428	1/20	0.47

▸	HINT1	P49773	4/20	0.43

▸	TAS1R3	Q7RTX0	1/20	0.42

▸	TAS1R1	Q7RTX1	1/20	0.42

▸	XDH	P47989	1/20	0.40

▸	GSK3A	P49840	2/20	0.39

▸	RPS6KA3	P51812	2/20	0.39

▸	MAPK14	Q16539	2/20	0.39

▸	TAAR1	Q96RJ0	1/20	0.39

▸	NT5E	P21589	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.

Compound	similarity	top predicted	shared targets
SCHEMBL21979489	0.91	TYMP (0.53)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19128529	0.91	TYMP (0.53)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL17223100	0.89	TYMP (0.64)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL28827051	0.89	TYMP (0.65)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL28827070	0.86	ADORA1 (0.51)	TYMPNT5E
SCHEMBL19127991	0.85	TYMP (0.52)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19127992	0.85	TYMP (0.52)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL16702978	0.83	TYMP (0.68)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL18042134	0.83	TYMP (0.68)	TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL1738400	0.83	TYMP (0.68)	TYMPHPGDHINT1TAS1R3TAS1R1

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
CN-109451740-B	Cyclic dinucleotides for the treatment of disorders associated with STING activity, such as cancer	先天肿瘤免疫公司	2022-09-02	—	—	CN	disclosed