SCHEMBL30849588

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

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TYMP	P19971	9/20	0.45

▸	KDM4E	B2RXH2	1/20	0.39

▸	TAS1R3	Q7RTX0	1/20	0.36

▸	TAS1R1	Q7RTX1	1/20	0.36

▸	TAAR1	Q96RJ0	2/20	0.33

▸	PDE9A	O76083	1/20	0.33

▸	CDK5	Q00535	1/20	0.33

▸	CDK5R1	Q15078	1/20	0.33

▸	NT5E	P21589	1/20	0.33

▸	HINT1	P49773	1/20	0.33

▸	HPGD	P15428	1/20	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
SCHEMBL18490445	1.00	TYMP (0.45)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL27216211	1.00	TYMP (0.45)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL18490345	0.95	TYMP (0.45)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL18490637	0.94	TYMP (0.43)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL25377613	0.92	TYMP (0.42)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL21750456	0.92	TYMP (0.42)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL21750451	0.92	TYMP (0.41)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL25377630	0.92	TYMP (0.41)	TYMPKDM4ETAS1R3TAS1R1TAAR1
SCHEMBL18490601	0.92	TYMP (0.41)	TYMPKDM4ETAS1R3TAS1R1TAAR1
Ammonia Solution, Strong SCHEMBL29866325	0.91	TYMP (0.41)	TYMPKDM4ETAS1R3TAS1R1TAAR1

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
EP-3334745-B1	CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS	MERCK SHARP & DOHME LLC (US)	2024-05-15	—	—	EP	disclosed