Carabrol

SCHEMBL30932148

C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)O)[C@]3(C)C[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	2/20	0.39

▸	MAPT	P10636	2/20	0.39

▸	RAB9A	P51151	2/20	0.39

▸	PKM	P14618	1/20	0.39

▸	RECQL	P46063	1/20	0.39

▸	NLRP3	Q96P20	5/20	0.38

▸	CYP2D6	P10635	1/20	0.38

▸	CYP2C9	P11712	1/20	0.38

▸	CYP2C19	P33261	1/20	0.38

▸	STAT3	P40763	1/20	0.38

▸	CYP3A4	P08684	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.38

▸	NPC1	O15118	1/20	0.37

▸	XBP1	P17861	1/20	0.37

▸	HTT	P42858	1/20	0.37

▸	MDM2	Q00987	1/20	0.37

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
Carabrone SCHEMBL30046035	0.81	NLRP3 (0.40)	PTGS2MAPTRAB9ANLRP3CYP2D6
SCHEMBL30366249	0.77	NLRP3 (0.41)	PTGS2MAPTRAB9APKMRECQL
SCHEMBL29690860	0.63	PTGS2 (0.40)	PTGS2MAPTRAB9ANLRP3CYP2D6
SCHEMBL8513390	0.63	PTGS2 (0.48)	PTGS2MAPTRAB9APKMRECQL
SCHEMBL13555308	0.63	PTGS2 (0.48)	PTGS2MAPTRAB9APKMRECQL
SCHEMBL10028473	0.62	KDR (0.51)	PTGS2MAPTRAB9APKMRECQL
Telekin SCHEMBL29780465	0.60	NLRP3 (0.51)	PTGS2MAPTRAB9APKMRECQL
SCHEMBL30661009	0.59	POLB (0.72)	—
SCHEMBL31079630	0.59	POLB (0.72)	—
SCHEMBL18430325	0.57	PTGS2 (0.42)	PTGS2MAPTRAB9APKMRECQL

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
CN-117946045-A	Nannochloride alcohol derivative	山东第一医科大学(山东省医学科学院)	2024-04-30	—	—	CN	disclosed