SCHEMBL5527658

CCCCCCCCCCCCCC(=O)[C@@]1(O)[C@@H](C(O)C(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C(=O)CCCCCCCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY14	Q15391	1/20	0.34

▸	NT5E	P21589	1/20	0.33

▸	DUT	P33316	4/20	0.33

▸	CYP3A4	P08684	2/20	0.32

▸	CYP2C9	P11712	2/20	0.32

▸	P2RY12	Q9H244	1/20	0.32

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
SCHEMBL4081760	0.84	NT5E (0.39)	P2RY14NT5EDUTCYP3A4CYP2C9
SCHEMBL9069548	0.79	P2RY12 (0.36)	P2RY12
SCHEMBL9174054	0.78	P2RY14 (0.35)	P2RY14NT5EDUTCYP3A4CYP2C9
SCHEMBL9069521	0.75	P2RY2 (0.35)	NT5EP2RY12
SCHEMBL443438	0.75	P2RY14 (0.37)	P2RY14NT5EDUTCYP3A4CYP2C9
SCHEMBL20603109	0.74	P2RY14 (0.38)	P2RY14NT5EDUTCYP3A4CYP2C9
SCHEMBL9738798	0.74	DUT (0.39)	P2RY14NT5EDUTCYP3A4CYP2C9
SCHEMBL443536	0.74	DUT (0.34)	P2RY14DUT
SCHEMBL8970004	0.73	P2RY14 (0.39)	P2RY14NT5EDUT
SCHEMBL4083099	0.73	SLC28A1 (0.40)	P2RY12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1745061-A1	NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME	Universite D'Avignon et Des Pays Du Vaucluse (FR)	2007-01-24	—	—	EP	disclosed
WO-2005116043-A1	NOVEL AMPHIPHILIC COMPOUNDS, PREPARATION METHOD THEREOF AND APPLICATIONS OF SAME	UNIVERSITE D'AVIGNON ET DES PAYS DE VAUCLUSE (FR)	2005-12-08	—	—	WO	disclosed