SCHEMBL9515165

CCCCCCCCCCOc1ccc(C(=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)c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	SMPD1	P17405	6/20	0.41

▸	CNR2	P34972	5/20	0.36

▸	S1PR3	Q99500	5/20	0.34

▸	S1PR1	P21453	2/20	0.34

▸	THRA	P10827	1/20	0.33

▸	THRB	P10828	1/20	0.33

▸	LMNA	P02545	1/20	0.32

▸	MAPT	P10636	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
SCHEMBL9512993	0.82	HDAC1 (0.34)	SMPD1CNR2S1PR3
SCHEMBL9511882	0.74	SMPD1 (0.43)	SMPD1CNR2S1PR3S1PR1
SCHEMBL9514279	0.73	SMPD1 (0.42)	SMPD1CNR2S1PR3S1PR1THRA
SCHEMBL9513498	0.73	SMPD1 (0.42)	SMPD1CNR2S1PR3S1PR1
SCHEMBL10419023	0.72	CA1 (0.47)	SMPD1CNR2
SCHEMBL10419025	0.72	CA1 (0.47)	SMPD1CNR2
SCHEMBL10417944	0.68	TLR4 (0.48)	SMPD1
SCHEMBL9511533	0.68	TLR4 (0.48)	SMPD1
SCHEMBL6807592	0.68	SMPD1 (0.41)	SMPD1CNR2S1PR3S1PR1
SCHEMBL8431503	0.67	LGALS3 (0.42)	SMPD1CNR2S1PR3S1PR1

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-0288888-B1	Novel glucopyranose derivatives	ONO PHARMACEUTICAL CO (JP)	1993-12-08	—	—	EP	claimed
EP-0288888-A2	Novel glucopyranose derivatives	ONO PHARMACEUTICAL CO., LTD. (JP)	1988-11-02	—	—	EP	claimed