SCHEMBL10558282

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCCc1cc(Cc2cc(CCCCCCCCC)cc(C(C)(C)c3ccccc3)c2O)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	HSPA5	P11021	2/20	0.48

▸	GAA	P10253	3/20	0.38

▸	KMT2A	Q03164	2/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	CYP2C9	P11712	1/20	0.37

▸	CYP2C19	P33261	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	HIF1A	Q16665	1/20	0.37

▸	PTGS2	P35354	4/20	0.37

▸	CNR2	P34972	4/20	0.36

▸	CNR1	P21554	3/20	0.36

▸	F2R	P25116	1/20	0.35

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
SCHEMBL29357051	0.93	HSPA5 (0.44)	HSPA5HIF1APTGS2CNR2CNR1
SCHEMBL39136	0.93	HSPA5 (0.44)	HSPA5HIF1APTGS2CNR2CNR1
SCHEMBL8373485	0.92	HSPA5 (0.47)	HSPA5GAAKMT2AMEN1CYP2C9
SCHEMBL19056632	0.87	PTGS2 (0.47)	HIF1APTGS2CNR2CNR1
SCHEMBL3812694	0.84	HSPA5 (0.66)	HSPA5GAAKMT2ACYP2C9CYP2C19
SCHEMBL3687864	0.84	HSPA5 (0.66)	HSPA5GAAKMT2ACYP2C9CYP2C19
SCHEMBL3694426	0.84	HSPA5 (0.66)	HSPA5GAAKMT2ACYP2C9CYP2C19
SCHEMBL8509844	0.84	HSPA5 (0.66)	HSPA5GAAKMT2ACYP2C9CYP2C19
SCHEMBL3689390	0.84	HSPA5 (0.66)	HSPA5GAAKMT2ACYP2C9CYP2C19
SCHEMBL8756671	0.82	HSPA5 (0.36)	HSPA5CYP2C9CYP2C19PTGS2CNR2

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
US-4863981-A	POLYMERS CONTAINING POLYALKYLPIPERDINE GROUPS	CIBA-GEIGY CORPORATION (US)	1989-09-05	—	—	US	disclosed