SCHEMBL2247374

CCCCCCCCCCCCOc1cc(C(=O)c2c(C(=O)NN)c(C(=O)c3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)c3nc4c5nc6ccc(C(=O)NN)cc6nc5c5nc6ccc(C(=O)NN)cc6nc5c4nc3c2C(=O)c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	SMPD1	P17405	9/20	0.43

▸	CNR2	P34972	3/20	0.37

▸	NPC1	O15118	1/20	0.36

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
SCHEMBL2247380	0.85	SMPD1 (0.44)	SMPD1CNR2
SCHEMBL12355811	0.83	SMPD1 (0.50)	SMPD1CNR2
SCHEMBL2246031	0.83	SMPD1 (0.50)	SMPD1CNR2
SCHEMBL2252367	0.83	SMPD1 (0.50)	SMPD1CNR2
SCHEMBL6111802	0.79	SMPD1 (0.41)	SMPD1
SCHEMBL969363	0.76	SMPD1 (0.53)	SMPD1
SCHEMBL28949956	0.76	SMPD1 (0.53)	SMPD1
SCHEMBL6111633	0.76	SMPD1 (0.53)	SMPD1
SCHEMBL969081	0.76	SMPD1 (0.53)	SMPD1
SCHEMBL28599541	0.75	SMPD1 (0.51)	SMPD1

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-7994423-B2	Charge-transport materials, methods of fabrication thereof, and methods of use thereof	GEORGIA TECH RESEARCH CORPORATION (US)	2011-08-09	—	—	US	disclosed