SCHEMBL17546355

Cc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Oc3ccc(S(=O)(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC1)=[N+]2CCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	FOLR1	P15328	6/20	0.52

▸	FOLH1	Q04609	4/20	0.51

▸	HTR1A	P08908	1/20	0.47

▸	MMP2	P08253	1/20	0.44

▸	MMP9	P14780	1/20	0.44

▸	PTPN1	P18031	1/20	0.43

▸	HRH2	P25021	5/20	0.41

▸	CHRM2	P08172	2/20	0.39

▸	CHRM4	P08173	2/20	0.39

▸	CHRM5	P08912	2/20	0.39

▸	CHRM1	P11229	2/20	0.39

▸	CHRM3	P20309	2/20	0.39

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
SCHEMBL12580185	0.97	FOLR1 (0.53)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL16075089	0.96	FOLH1 (0.54)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL10020551	0.96	FOLR1 (0.55)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL13173074	0.96	FOLR1 (0.55)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL13883450	0.94	FOLH1 (0.56)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL13173078	0.94	FOLH1 (0.56)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL17546361	0.93	FOLH1 (0.47)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL13380231	0.93	FOLH1 (0.53)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL29354043	0.93	FOLH1 (0.57)	FOLR1FOLH1HTR1AMMP2MMP9
SCHEMBL14586413	0.92	FOLR1 (0.53)	FOLR1FOLH1HTR1AMMP2MMP9

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-9274008-B2	Nanothermometer, methods and uses therefor	WASHINGTON UNIVERSITY (US)	2016-03-01	—	—	US	disclosed