SCHEMBL9249398 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	SPHK1	Q9NYA1	13/20	0.38

▸	SPHK2	Q9NRA0	7/20	0.34

▸	CYP2C9	P11712	2/20	0.32

▸	ESR1	P03372	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	ESR2	Q92731	1/20	0.32

▸	STAT3	P40763	2/20	0.32

▸	DGAT1	O75907	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
SCHEMBL9252626	0.90	CYP2C9 (0.44)	SPHK1SPHK2CYP2C9ESR2
SCHEMBL9252618	0.90	CYP2C9 (0.44)	SPHK1SPHK2CYP2C9ESR2
SCHEMBL9250666	0.88	SPHK1 (0.39)	SPHK1SPHK2CYP2C9ESR1CYP3A4
SCHEMBL9250662	0.88	SPHK1 (0.39)	SPHK1SPHK2CYP2C9ESR1CYP3A4
SCHEMBL9250212	0.88	SPHK1 (0.43)	SPHK1SPHK2CYP2C9
SCHEMBL9250204	0.88	SPHK1 (0.43)	SPHK1SPHK2CYP2C9
SCHEMBL9252662	0.87	SPHK1 (0.45)	SPHK1SPHK2CYP2C9CYP3A4
SCHEMBL9252671	0.87	SPHK1 (0.45)	SPHK1SPHK2CYP2C9CYP3A4
SCHEMBL8774578	0.83	SPHK1 (0.37)	SPHK1SPHK2CYP2C9DGAT1
SCHEMBL8774571	0.83	SPHK1 (0.37)	SPHK1SPHK2CYP2C9DGAT1

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-1995010495-A1	2,3,4,5-TETRAFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES	MERCK PATENT GMBH (DE)	1995-04-20	—	—	WO	disclosed