SCHEMBL9701883

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC(CN(CCS(=O)(=O)O)C(=O)C(CCCCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PLA2G2C	Q5R387	7/20	0.38

▸	S1PR2	O95136	1/20	0.33

▸	S1PR1	P21453	1/20	0.33

▸	S1PR3	Q99500	1/20	0.33

▸	SPHK1	Q9NYA1	1/20	0.32

▸	USP2	O75604	1/20	0.32

▸	TLR2	O60603	4/20	0.32

▸	CYP1A2	P05177	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2C19	P33261	1/20	0.32

▸	HTT	P42858	1/20	0.32

▸	PLA2G2A	P14555	1/20	0.31

▸	RECQL	P46063	1/20	0.31

▸	LPAR5	Q9H1C0	1/20	0.31

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
SCHEMBL9506931	0.83	PLA2G2C (0.38)	PLA2G2CSPHK1USP2TLR2CYP1A2
SCHEMBL9417247	0.80	USP2 (0.43)	PLA2G2CSPHK1USP2CYP1A2CYP3A4
SCHEMBL9417256	0.80	USP2 (0.43)	PLA2G2CSPHK1USP2CYP1A2CYP3A4
SCHEMBL9668734	0.79	S1PR2 (0.36)	S1PR2S1PR1S1PR3
SCHEMBL9700924	0.76	EPHX2 (0.40)	CYP3A4
SCHEMBL9508225	0.71	LPAR5 (0.45)	PLA2G2CSPHK1USP2TLR2CYP1A2
SCHEMBL9510777	0.70	PLA2G2C (0.41)	PLA2G2CS1PR2S1PR1S1PR3TLR2
SCHEMBL7779283	0.69	GPR84 (0.42)	S1PR2S1PR1S1PR3
SCHEMBL31169371	0.68	PLA2G2C (0.42)	PLA2G2CSPHK1USP2CYP1A2CYP3A4
SCHEMBL31169363	0.68	PLA2G2C (0.42)	PLA2G2CSPHK1USP2CYP1A2CYP3A4

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-1992006982-A1	COSMETIC COMPOSITION	UNILEVER PLC (GB)	1992-04-30	—	—	WO	disclosed