Nerolidol

SCHEMBL28601537

C=CC(C)(O)CCC=C(C)CCC=C(C)C.CC(C)=CCC/C(C)=C\CCC(=O)O

nearest known ligand 0.82

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALOX15	P16050	4/20	0.82

▸	FNTA	P49354	8/20	0.51

▸	FNTB	P49356	8/20	0.51

▸	KMT2A	Q03164	3/20	0.47

▸	MAPT	P10636	3/20	0.47

▸	MEN1	O00255	2/20	0.47

▸	TRPA1	O75762	1/20	0.47

▸	KDM4E	B2RXH2	1/20	0.44

▸	ATM	Q13315	1/20	0.44

▸	ALDH1A1	P00352	1/20	0.42

▸	CYP3A4	P08684	1/20	0.42

▸	UGT1A1	P22309	1/20	0.42

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
Nerolidol SCHEMBL31233868	1.00	ALOX15 (0.82)	ALOX15FNTAFNTBKMT2AMAPT
Nerolidol SCHEMBL28012619	0.94	ALOX15 (0.88)	ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL11518352	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
SCHEMBL1586712	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
Nerolidol SCHEMBL114138	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
Nerolidol SCHEMBL6883271	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
Nerolidiol SCHEMBL6514677	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
Nerolidol SCHEMBL9064064	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
Nerolidol SCHEMBL1867217	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E
SCHEMBL11524835	0.91	ALOX15 (1.00)	ALOX15KMT2AMAPTMEN1KDM4E

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-113163841-A	Aerosol formulation	尼科创业贸易有限公司	2021-07-23	—	—	CN	disclosed