SCHEMBL16704630

C=C(C)[C@@H]1CC[C@]2(C(=C)O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.81

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PC	P11498	7/20	0.81

▸	MAPK1	P28482	2/20	0.56

▸	USP2	O75604	1/20	0.56

▸	LMNA	P02545	1/20	0.56

▸	TP53	P04637	1/20	0.56

▸	F3	P13726	4/20	0.55

▸	CES2	O00748	1/20	0.52

▸	CES1	P23141	1/20	0.52

▸	POLB	P06746	1/20	0.47

▸	NPSR1	Q6W5P4	1/20	0.47

▸	XDH	P47989	1/20	0.47

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
SCHEMBL15445080	1.00	PC (0.81)	PCMAPK1USP2LMNATP53
SCHEMBL16704685	1.00	PC (0.81)	PCMAPK1USP2LMNATP53
SCHEMBL15450689	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL13164859	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL28280706	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL3244839	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL13164838	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL14554340	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL29785205	0.95	PC (0.83)	PCMAPK1USP2LMNATP53
SCHEMBL16704661	0.91	PC (0.91)	PCMAPK1USP2LMNATP53

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-9029414-B2	Triterpenoid compounds and methods of use thereof	BIOTECHNOLOGY RESEARCH CORPORATION (HK)	2015-05-12	—	—	US	disclosed