SCHEMBL26519341

CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NFKB1	P19838	16/20	1.00

▸	NFKB2	Q00653	16/20	1.00

▸	RELA	Q04206	16/20	1.00

▸	CLPX	O76031	1/20	1.00

▸	VCP	P55072	1/20	1.00

▸	NPC1	O15118	1/20	0.81

▸	POLB	P06746	1/20	0.81

▸	MAPT	P10636	1/20	0.81

▸	HTT	P42858	1/20	0.81

▸	RAB9A	P51151	1/20	0.81

▸	NPSR1	Q6W5P4	1/20	0.81

▸	GLS	O94925	2/20	0.51

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
SCHEMBL12309166	1.00	NFKB1 (1.00)	NFKB1NFKB2RELACLPXVCP
SCHEMBL12309143	1.00	NFKB1 (1.00)	NFKB1NFKB2RELACLPXVCP
SCHEMBL19871686	0.92	NFKB1 (0.86)	NFKB1NFKB2RELACLPXVCP
SCHEMBL18615299	0.92	NFKB1 (0.85)	NFKB1NFKB2RELACLPXVCP
SCHEMBL18613194	0.92	NFKB1 (0.85)	NFKB1NFKB2RELACLPXVCP
SCHEMBL12309142	0.92	NFKB1 (1.00)	NFKB1NFKB2RELACLPXVCP
SCHEMBL11950381	0.92	NFKB1 (0.85)	NFKB1NFKB2RELACLPXVCP
SCHEMBL11950399	0.91	NFKB1 (0.83)	NFKB1NFKB2RELACLPXVCP
Withaferin A SCHEMBL24075907	0.90	NFKB1 (1.00)	NFKB1NFKB2RELACLPXVCP
SCHEMBL12309145	0.90	NFKB1 (1.00)	NFKB1NFKB2RELACLPXVCP

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-20230324411-A1	TARGETING LIGANDS FOR TAU PATHOLOGY	TEXAS CHILDREN'S HOSPITAL (US)	2023-10-12	—	—	US	disclosed