SCHEMBL28292690

CC1CC(C)(C)CC(c2ccc3oc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)nc3c2)(c2ccc3oc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)nc3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	4/20	0.44

▸	ESR2	Q92731	4/20	0.44

▸	NPC1	O15118	1/20	0.35

▸	RAB9A	P51151	1/20	0.35

▸	GFER	P55789	1/20	0.35

▸	APP	P05067	1/20	0.35

▸	PTGS1	P23219	6/20	0.34

▸	PTGS2	P35354	5/20	0.34

▸	HDAC3	O15379	1/20	0.34

▸	HDAC1	Q13547	1/20	0.34

▸	HDAC2	Q92769	1/20	0.34

▸	HDAC8	Q9BY41	1/20	0.34

▸	HDAC6	Q9UBN7	1/20	0.34

▸	PIK3CA	P42336	1/20	0.33

▸	PIK3CB	P42338	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
SCHEMBL28291226	0.82	ESR1 (0.44)	ESR1ESR2NPC1RAB9AAPP
SCHEMBL28096590	0.78	ESR1 (0.38)	ESR1ESR2NPC1RAB9AGFER
SCHEMBL297281	0.76	ESR1 (0.56)	ESR1ESR2PTGS1PTGS2
SCHEMBL6956253	0.74	ESR1 (0.63)	ESR1ESR2NPC1RAB9AGFER
SCHEMBL297457	0.73	ESR1 (0.60)	ESR1ESR2
SCHEMBL29459481	0.73	ESR1 (0.60)	ESR1ESR2
SCHEMBL10786285	0.70	ESR1 (0.54)	ESR1ESR2NPC1RAB9APTGS1
SCHEMBL6965508	0.70	ALDH1A1 (0.53)	ESR1ESR2NPC1RAB9AGFER
SCHEMBL28872623	0.70	ESR2 (0.53)	ESR1ESR2HDAC6
SCHEMBL7065992	0.70	ESR1 (0.51)	ESR1ESR2

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
CN-105899497-B	Novel bis (hydroxyphenyl) benzoxazole compounds	本州化学工业株式会社	2019-04-09	—	—	CN	disclosed