SCHEMBL8976811

COC(=O)CCc1cc(C(C)(C)C)c(OP2N(C(C)(C)C)P(Oc3c(C(C)(C)C)cc(CCC(=O)OC)cc3C(C)(C)C)N2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	5/20	0.43

▸	VCAM1	P19320	2/20	0.41

▸	KMT2A	Q03164	3/20	0.40

▸	MEN1	O00255	2/20	0.37

▸	PTGS1	P23219	1/20	0.35

▸	MAOB	P27338	3/20	0.35

▸	PTPN1	P18031	2/20	0.35

▸	MAOA	P21397	2/20	0.34

▸	ACHE	P22303	1/20	0.34

▸	SIRT2	Q8IXJ6	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	AGTR1	P30556	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	SMN1; SMN2	Q16637	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
SCHEMBL8977041	0.82	GAA (0.40)	GAAVCAM1KMT2AMEN1MAOB
SCHEMBL8976832	0.82	THRA (0.39)	GAAKMT2AMEN1ALDH1A1
SCHEMBL20862842	0.81	GAA (0.51)	GAAVCAM1KMT2AMEN1ALDH1A1
SCHEMBL490767	0.77	GAA (0.67)	GAAVCAM1KMT2AMEN1PTGS1
SCHEMBL2612474	0.77	GAA (0.48)	GAAVCAM1KMT2AMEN1PTGS1
SCHEMBL7647695	0.76	GAA (0.65)	GAAVCAM1KMT2AMEN1PTGS1
Methane SCHEMBL9226524	0.76	GAA (0.65)	GAAVCAM1KMT2AMEN1PTGS1
SCHEMBL14342310	0.76	GAA (0.53)	GAAVCAM1KMT2AMEN1PTGS1
SCHEMBL13170231	0.76	GAA (0.47)	GAAVCAM1KMT2AMEN1PTGS1
SCHEMBL35210200	0.76	GAA (0.47)	GAAVCAM1KMT2AMEN1PTGS1

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-5534646-A	OXIDATION RESISTANCE FOR POLYMERS	CIBA-GEIGY CORPORATION (US)	1996-07-09	—	—	US	disclosed