SCHEMBL27216216

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OP(=O)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](P(=O)(O)O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KDM4E	B2RXH2	1/20	0.39

▸	TYMP	P19971	2/20	0.38

▸	GAPDH	P04406	1/20	0.35

▸	TAS1R3	Q7RTX0	1/20	0.35

▸	TAS1R1	Q7RTX1	1/20	0.35

▸	P2RY12	Q9H244	6/20	0.34

▸	P2RY1	P47900	2/20	0.32

▸	P2RY2	P41231	1/20	0.32

▸	P2RY6	Q15077	1/20	0.32

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
SCHEMBL18490593	0.94	KDM4E (0.38)	KDM4ETYMPGAPDHTAS1R3TAS1R1
SCHEMBL27216196	0.86	KDM4E (0.38)	KDM4ETYMPGAPDH
SCHEMBL22301448	0.86	TYMP (0.39)	KDM4ETYMPGAPDHTAS1R3TAS1R1
SCHEMBL31430089	0.86	KDM4E (0.41)	KDM4EGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL31430077	0.86	KDM4E (0.41)	KDM4EGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL20474403	0.86	KDM4E (0.46)	KDM4ETAS1R3TAS1R1P2RY12P2RY1
SCHEMBL18490433	0.85	KDM4E (0.38)	KDM4ETYMPGAPDHTAS1R3TAS1R1
SCHEMBL22301451	0.85	TYMP (0.38)	KDM4ETYMPGAPDHTAS1R3TAS1R1
SCHEMBL18490282	0.85	KDM4E (0.46)	KDM4EGAPDHTAS1R3TAS1R1P2RY12
SCHEMBL18992202	0.85	TYMP (0.38)	KDM4ETYMPGAPDHTAS1R3TAS1R1

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