SCHEMBL22822305

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)NC(CO)CO)CC[C@]3(C)CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	PRDX1	Q06830	19/20	1.00

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
SCHEMBL22822455	0.88	PRDX1 (0.79)	PRDX1
SCHEMBL18781883	0.88	PRDX1 (0.83)	PRDX1
SCHEMBL22822454	0.88	PRDX1 (1.00)	PRDX1
SCHEMBL18781851	0.87	TERT (0.81)	PRDX1
SCHEMBL18781888	0.87	PRDX1 (0.77)	PRDX1
SCHEMBL18781880	0.86	PRDX1 (0.77)	PRDX1
SCHEMBL18781882	0.86	PRDX1 (0.76)	PRDX1
SCHEMBL22822306	0.84	PRDX1 (1.00)	PRDX1
SCHEMBL22822296	0.84	PRDX1 (1.00)	PRDX1
SCHEMBL26205042	0.84	TERT (0.83)	PRDX1

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
WO-2020253814-A1	TRIPTERINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF	中国科学院上海药物研究所	2020-12-24	—	—	WO	disclosed