SCHEMBL9130783

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)=O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GPBAR1	Q8TDU6	2/20	0.80

▸	NT5E	P21589	5/20	0.70

▸	PRKCD	Q05655	1/20	0.70

▸	PRKCG	P05129	2/20	0.68

▸	CETP	P11597	1/20	0.68

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
SCHEMBL23284121	1.00	GPBAR1 (0.80)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL13814595	1.00	GPBAR1 (0.80)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL15714058	0.95	GPBAR1 (0.73)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL10214498	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL13637670	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL10214450	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL23626136	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL13890817	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL12557823	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP
SCHEMBL960045	0.93	NT5E (0.81)	GPBAR1NT5EPRKCDPRKCGCETP

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-5468888-A	Lupane derivatives, their preparation and the pharmaceutical compositions which contain them	RHONE-POULENC RORER S.A. (FR)	1995-11-21	—	—	US	disclosed