SCHEMBL19636713

C=C1/C=C\C=C/C/C=C\C=C/1CN([C@@H]1C(=C)C(=C)[C@H]1N(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TRPM8	Q7Z2W7	1/20	0.34

▸	LMNA	P02545	2/20	0.33

▸	ALDH1A1	P00352	2/20	0.31

▸	GAA	P10253	1/20	0.31

▸	CD4	P01730	1/20	0.31

▸	MAPT	P10636	1/20	0.31

▸	THRB	P10828	1/20	0.31

▸	TDP1	Q9NUW8	1/20	0.31

▸	KEAP1	Q14145	1/20	0.31

▸	NFE2L2	Q16236	1/20	0.31

▸	CYP1A2	P05177	1/20	0.30

▸	CYP2D6	P10635	1/20	0.30

▸	CYP2C19	P33261	1/20	0.30

▸	BACE1	P56817	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
SCHEMBL28184190	0.83	TRPM8 (0.43)	TRPM8LMNAALDH1A1GAAMAPT
SCHEMBL19636716	0.73	CYP1A2 (0.41)	TRPM8LMNAALDH1A1GAAMAPT
SCHEMBL28183374	0.66	CNR2 (0.55)	LMNAALDH1A1
SCHEMBL19636592	0.66	CNR2 (0.55)	LMNAALDH1A1
SCHEMBL18085041	0.63	CNR2 (0.53)	TRPM8LMNAALDH1A1GAACYP1A2
SCHEMBL19636457	0.60	MCHR1 (0.44)	ALDH1A1MAPTTDP1KEAP1NFE2L2
SCHEMBL19636456	0.60	MCHR1 (0.44)	ALDH1A1MAPTTDP1KEAP1NFE2L2
SCHEMBL19636714	0.60	CNR2 (0.59)	ALDH1A1BACE1
SCHEMBL28183369	0.59	CDK4 (0.51)	ALDH1A1
SCHEMBL5966612	0.59	NQO2 (0.47)	LMNAALDH1A1GAAKEAP1NFE2L2

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-2017197670-A1	METHOD FOR SYNTHESIZING 1,2-DIMETHYLENE CYCLOBUTANE CHIRAL COMPOUND	中国科学院福建物质结构研究所	2017-11-23	—	—	WO	disclosed