SCHEMBL6741278

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PRKCD	Q05655	1/20	0.81

▸	CETP	P11597	1/20	0.73

▸	PTGES	O14684	2/20	0.67

▸	PTPN1	P18031	2/20	0.63

▸	CES2	O00748	1/20	0.63

▸	TOP2A	P11388	1/20	0.63

▸	CES1	P23141	1/20	0.63

▸	NR1H4	Q96RI1	1/20	0.61

▸	NT5E	P21589	6/20	0.59

▸	CA9	Q16790	1/20	0.57

▸	PRKCG	P05129	1/20	0.57

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
SCHEMBL7746354	1.00	PRKCD (0.81)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956717	1.00	PRKCD (0.81)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL6741284	0.96	PRKCD (0.75)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956741	0.95	CETP (0.82)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL13908747	0.90	PRKCD (0.67)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956497	0.90	PRKCD (0.67)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL4659804	0.90	PRKCD (0.67)	PRKCDCETPPTGESPTPN1CES2
Hydrochloric Acid SCHEMBL4660172	0.90	PRKCD (0.66)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL15496672	0.90	CETP (0.69)	PRKCDCETPPTGESPTPN1CES2
SCHEMBL7533551	0.90	PRKCD (1.00)	PRKCDCETPPTPN1NT5EPRKCG

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-6689767-B2	TRITERPENE BACTERICIDES	REGENTS OF THE UNIVERSITY OF MINNESOTA	2004-02-10	—	—	US	disclosed