SCHEMBL13534344

CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/C3CCSCC3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC

nearest known ligand 0.86

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FKBP1A	P62942	18/20	0.86

▸	MEN1	O00255	1/20	0.86

▸	LMNA	P02545	1/20	0.86

▸	MAPT	P10636	1/20	0.86

▸	KMT2A	Q03164	1/20	0.86

▸	THRB	P10828	1/20	0.86

▸	FKBP4	Q02790	1/20	0.86

▸	ABCB11	O95342	1/20	0.83

▸	ADORA3	P0DMS8	1/20	0.83

▸	PPP3CA	Q08209	1/20	0.76

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
SCHEMBL13174536	0.95	FKBP1A (0.90)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL16907154	0.95	FKBP1A (0.90)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL13173685	0.95	FKBP1A (0.90)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL13534494	0.94	FKBP1A (0.86)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL13534493	0.94	FKBP1A (0.87)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL13534506	0.93	FKBP1A (0.88)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL12709563	0.92	FKBP1A (0.87)	FKBP1AMEN1LMNAMAPTKMT2A
SCHEMBL24741502	0.92	FKBP1A (1.00)	FKBP1AMEN1LMNAMAPTKMT2A
Ascomycin SCHEMBL17721321	0.92	FKBP1A (1.00)	FKBP1AMEN1LMNAMAPTKMT2A
Ascomycin SCHEMBL452381	0.92	FKBP1A (1.00)	FKBP1AMEN1LMNAMAPTKMT2A

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-2010004304-A1	NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION	BIOTICA TECHNOLOGY LIMITED (GB)	2010-01-14	—	—	WO	disclosed