SCHEMBL5161847

CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1.CCCCCCCCCCCCCCCCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NAAA	Q02083	3/20	0.55

▸	EPHX2	P34913	4/20	0.39

▸	TSHR	P16473	1/20	0.37

▸	EPHX1	P07099	8/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	S1PR4	O95977	1/20	0.36

▸	S1PR1	P21453	1/20	0.36

▸	S1PR3	Q99500	1/20	0.36

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
SCHEMBL30104101	0.95	NAAA (0.50)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL1232050	0.91	NAAA (0.66)	NAAASMN1; SMN2
SCHEMBL20194432	0.91	NAAA (0.66)	NAAASMN1; SMN2
SCHEMBL454723	0.88	GNAI3 (0.43)	NAAAEPHX2TSHREPHX1S1PR4
SCHEMBL7483731	0.88	GNAI3 (0.43)	NAAAEPHX2TSHREPHX1S1PR4
SCHEMBL17895652	0.87	NAAA (0.57)	NAAAEPHX2SMN1; SMN2
SCHEMBL698203	0.87	NAAA (0.56)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL30894534	0.87	NAAA (0.56)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL9743615	0.87	NAAA (0.56)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL10467609	0.87	NAAA (0.56)	NAAAEPHX2TSHREPHX1SMN1; SMN2

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-1546296-B1	PROTECTION OF FRAGRANCE IN A WAX CANDLE USING AN ANTIOXIDANTS	COMMERCIAL TECH INC (US)	2007-02-21	—	—	EP	disclosed