SCHEMBL9512993

CCCCCCCCOc1ccc(CCC(=O)N[C@@H]2[C@@H](OC)O[C@H](C(O)S(=O)(=O)O)[C@](O)(S(=O)(=O)O)[C@@H]2OC(=O)CCc2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1OCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC1	Q13547	2/20	0.34

▸	HDAC2	Q92769	2/20	0.34

▸	S1PR3	Q99500	1/20	0.31

▸	LTA4H	P09960	2/20	0.31

▸	CNR2	P34972	5/20	0.31

▸	CNR1	P21554	3/20	0.31

▸	SMPD1	P17405	1/20	0.31

▸	PDE4D	Q08499	1/20	0.30

▸	CYP3A4	P08684	2/20	0.30

▸	HTR1A	P08908	2/20	0.30

▸	CYP2C8	P10632	2/20	0.30

▸	CYP2D6	P10635	2/20	0.30

▸	CYP2A6	P11509	2/20	0.30

▸	CYP2C9	P11712	2/20	0.30

▸	CYP2B6	P20813	2/20	0.30

▸	CYP2C19	P33261	2/20	0.30

▸	CYP1A2	P05177	1/20	0.30

▸	CYP2E1	P05181	1/20	0.30

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
SCHEMBL9515165	0.82	SMPD1 (0.41)	S1PR3CNR2SMPD1
SCHEMBL9512979	0.75	TLR4 (0.38)	HDAC1HDAC2
SCHEMBL6801798	0.73	TLR4 (0.41)	—
SCHEMBL9511906	0.73	TLR4 (0.41)	HDAC1HDAC2
SCHEMBL8435107	0.70	TLR4 (0.36)	HDAC1HDAC2CNR2CNR1
SCHEMBL8431664	0.68	TLR4 (0.45)	HDAC1HDAC2
SCHEMBL9511533	0.61	TLR4 (0.48)	SMPD1
SCHEMBL10417944	0.61	TLR4 (0.48)	SMPD1
SCHEMBL14980543	0.61	HDAC1 (0.57)	HDAC1HDAC2S1PR3CNR2
SCHEMBL11315400	0.61	PPARA (0.53)	S1PR3CNR2

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-0288888-B1	Novel glucopyranose derivatives	ONO PHARMACEUTICAL CO (JP)	1993-12-08	—	—	EP	claimed