Taxusin

SCHEMBL4990660

C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C(C(OC(C)=O)[C@@H]2OC(C)=O)C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NLRP3	Q96P20	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.30

▸	TP53	P04637	1/20	0.30

▸	MAPT	P10636	1/20	0.30

▸	MAPK1	P28482	1/20	0.30

▸	OPRK1	P41145	1/20	0.30

▸	RAB9A	P51151	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

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
Taxusin SCHEMBL6017679	1.00	NLRP3 (0.31)	NLRP3ALDH1A1TP53MAPTMAPK1
SCHEMBL1891255	0.85	OPRK1 (0.33)	NLRP3OPRK1
SCHEMBL31215165	0.81	RAB9A (0.32)	RAB9ASMN1; SMN2
SCHEMBL24565373	0.78	ALDH1A1 (0.34)	ALDH1A1TP53MAPTMAPK1
SCHEMBL24565382	0.73	ALDH1A1 (0.31)	ALDH1A1TP53MAPTMAPK1
SCHEMBL3510752	0.67	NLRP3 (0.40)	NLRP3
SCHEMBL30515432	0.67	ALOX15 (0.36)	NLRP3RAB9ASMN1; SMN2
SCHEMBL11194228	0.67	ALOX15 (0.36)	NLRP3RAB9ASMN1; SMN2
SCHEMBL1892483	0.65	HDAC6 (0.50)	NLRP3
SCHEMBL3511639	0.65	HDAC6 (0.50)	NLRP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7416872-B2	Taxoid oxygenases and their uses	WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US)	2008-08-26	—	—	US	disclosed
US-20070067864-A1	Cytochrome P450 oxygenases and their uses	WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION	2007-03-22	—	—	US	disclosed