SCHEMBL5826467

CC[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ACACB	O00763	2/20	0.34

▸	OGA	O60502	1/20	0.33

▸	PIN1	Q13526	4/20	0.33

▸	CYP3A4	P08684	1/20	0.31

▸	HTT	P42858	1/20	0.31

▸	SMN1; SMN2	Q16637	1/20	0.31

▸	HPGDS	O60760	1/20	0.31

▸	ALK	Q9UM73	1/20	0.30

▸	SMYD2	Q9NRG4	1/20	0.30

▸	ALPL	P05186	1/20	0.30

▸	ALPI	P09923	1/20	0.30

▸	ALPG	P10696	1/20	0.30

▸	SCD	O00767	1/20	0.30

▸	HRH3	Q9Y5N1	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
SCHEMBL5723646	0.90	CNR1 (0.34)	ACACBOGAPIN1CYP3A4HTT
SCHEMBL5723642	0.90	CNR1 (0.34)	ACACBOGAPIN1CYP3A4HTT
SCHEMBL5723870	0.89	OGA (0.35)	ACACBOGAPIN1CYP3A4HTT
SCHEMBL6944143	0.88	OGA (0.32)	ACACBOGAPIN1SMYD2ALPL
SCHEMBL5723546	0.86	OGA (0.42)	ACACBOGAPIN1HPGDSSCD
SCHEMBL5723703	0.86	CNR2 (0.35)	ACACBOGAPIN1CYP3A4HTT
SCHEMBL5724026	0.82	PARP1 (0.37)	PIN1SMN1; SMN2SCD
SCHEMBL5724129	0.82	OGA (0.39)	ACACBOGAPIN1HPGDSSCD
SCHEMBL5723906	0.81	OGA (0.38)	OGASCD
SCHEMBL7075651	0.81	OGA (0.33)	ACACBOGAPIN1HPGDSALK

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-7001897-B2	1-methylcarbapenem derivatives	SANKYO COMPANY, LIMITED (JP)	2006-02-21	—	—	US	disclosed