SCHEMBL18318921

CCCCCCC1(CCCCCC)c2cc(C=C(C#N)C(=O)O)sc2-c2sc(-c3ccc(N(c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)c4ccc(-c5ccc(OCCCC)cc5OCCCC)cc4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	PTGES	O14684	2/20	0.40

▸	MAPT	P10636	1/20	0.40

▸	SLC16A3	O15427	3/20	0.38

▸	SLC16A1	P53985	3/20	0.38

▸	PTPN11	Q06124	3/20	0.34

▸	APP	P05067	1/20	0.34

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
SCHEMBL30141764	1.00	PTGES (0.40)	PTGESMAPTSLC16A3SLC16A1PTPN11
SCHEMBL29349903	1.00	PTGES (0.40)	PTGESMAPTSLC16A3SLC16A1PTPN11
SCHEMBL14763466	0.99	PTGES (0.41)	PTGESMAPTSLC16A3SLC16A1PTPN11
SCHEMBL30353013	0.99	PTGES (0.41)	PTGESMAPTSLC16A3SLC16A1PTPN11
SCHEMBL9910001	0.92	PTGES (0.43)	PTGESMAPTSLC16A3SLC16A1APP
SCHEMBL18318022	0.92	SLC16A3 (0.44)	PTGESMAPTSLC16A3SLC16A1APP
SCHEMBL22784130	0.90	PTGES (0.43)	PTGESMAPTSLC16A3SLC16A1APP
SCHEMBL29408663	0.89	PTGES (0.37)	PTGESMAPTSLC16A3SLC16A1PTPN11
SCHEMBL18318996	0.89	MAPT (0.36)	PTGESMAPTSLC16A3SLC16A1APP
SCHEMBL18318021	0.88	MAPT (0.36)	PTGESMAPTSLC16A3SLC16A1APP

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
US-10695723-B2	Dye sensitized photoactive surfaces	MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US)	2020-06-30	—	—	US	disclosed
US-20160367946-A1	DYE SENSITIZED PHOTOACTIVE SURFACES	MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US)	2016-12-22	—	—	US	disclosed