SCHEMBL9113032

CCC1/C=C(\C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCC(O)c4cc(OC)cc(OC)c4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

nearest known ligand 0.90

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FKBP1A	P62942	18/20	0.90

▸	PPP3CA	Q08209	10/20	0.90

▸	MEN1	O00255	1/20	0.79

▸	LMNA	P02545	1/20	0.79

▸	MAPT	P10636	1/20	0.79

▸	KMT2A	Q03164	1/20	0.79

▸	THRB	P10828	1/20	0.79

▸	FKBP4	Q02790	1/20	0.79

▸	ABCB11	O95342	1/20	0.76

▸	ADORA3	P0DMS8	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
SCHEMBL9110476	0.97	FKBP1A (0.93)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111906	0.97	FKBP1A (0.86)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387372	0.97	FKBP1A (0.86)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387502	0.97	FKBP1A (0.86)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111999	0.96	FKBP1A (0.89)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111713	0.93	FKBP1A (0.85)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9111895	0.93	FKBP1A (0.78)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL9110996	0.93	FKBP1A (0.90)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387458	0.93	FKBP1A (0.93)	FKBP1APPP3CAMEN1LMNAMAPT
SCHEMBL1387267	0.93	FKBP1A (1.00)	FKBP1APPP3CAMEN1LMNAMAPT

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-1995009857-A1	O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY	MERCK & CO., INC. (US)	1995-04-13	—	—	WO	disclosed