SCHEMBL19928430

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4cc(C(C)(C)C)cc5c4-c4ccc(C(C)(C)C)cc4C5(C)C)c(C(C)(C)C)c3)c1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPC1	O15118	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	PLA2G1B	P04054	1/20	0.33

▸	NFKB1	P19838	1/20	0.33

▸	CASP3	P42574	1/20	0.33

▸	RAB9A	P51151	1/20	0.33

▸	NFKB2	Q00653	1/20	0.33

▸	RELA	Q04206	1/20	0.33

▸	SENP8	Q96LD8	1/20	0.33

▸	SENP7	Q9BQF6	1/20	0.33

▸	SENP6	Q9GZR1	1/20	0.33

▸	L3MBTL1	Q9Y468	1/20	0.33

▸	ATG4B	Q9Y4P1	1/20	0.33

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
SCHEMBL12177698	0.81	NPC1 (0.44)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL17358856	0.80	PDK2 (0.33)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL16158473	0.80	PDK2 (0.33)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27350800	0.80	ALDH1A1 (0.44)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL17358862	0.78	PGR (0.33)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL13327220	0.77	—	—
SCHEMBL13327219	0.77	—	—
SCHEMBL16158559	0.77	ALDH1A1 (0.37)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL16154625	0.76	NPC1 (0.31)	NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL17358858	0.76	AKR1C3 (0.37)	NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-9911921-B2	Organic compound and organic light-emitting device	CANON KABUSHIKI KAISHA (JP)	2018-03-06	—	—	US	disclosed