SCHEMBL14767367

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

nearest known ligand 0.81

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	1/20	0.81

▸	NR1H4	Q96RI1	2/20	0.65

▸	NT5E	P21589	8/20	0.65

▸	PRKCD	Q05655	1/20	0.63

▸	CETP	P11597	1/20	0.62

▸	PRKCG	P05129	2/20	0.56

▸	ALB	P02768	1/20	0.56

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
SCHEMBL14156476	0.92	PTPN1 (0.77)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL29402973	0.92	PTPN1 (0.77)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL14156443	0.92	PTPN1 (0.77)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL14163456	0.90	PTPN1 (0.87)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL13403512	0.90	PTPN1 (0.87)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL2620136	0.90	PTPN1 (0.88)	PTPN1NR1H4NT5EPRKCDCETP
SCHEMBL13222940	0.90	PTPN1 (0.91)	PTPN1NR1H4NT5EPRKCDCETP
Bevirimat SCHEMBL12565073	0.90	PTPN1 (1.00)	PTPN1NT5EPRKCDCETPPRKCG
Bevirimat SCHEMBL10061308	0.90	PTPN1 (1.00)	PTPN1NT5EPRKCDCETPPRKCG
Bevirimat SCHEMBL19480543	0.90	PTPN1 (1.00)	PTPN1NT5EPRKCDCETPPRKCG

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
EP-2567965-A1	Derivatives of 3-O-(3',3'-dimethylsuccinyl)-betulinic acid	Centre National de la Recherche Scientifique (CNRS) (FR)	2013-03-13	—	—	EP	disclosed