Nerolidol

Nerolidol

SCHEMBL6883271

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 1.00
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 6/20 0.48
KDM4E B2RXH2 1/20 0.46
GGPS1 O95749 1/20 0.44

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11524833 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL1586712 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL11518352 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
Nerolidol SCHEMBL7551916 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
Nerolidol SCHEMBL1867217 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
Nerolidiol SCHEMBL6514677 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
Nerolidol SCHEMBL9064064 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL11524835 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
SCHEMBL249658 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4
Nerolidol SCHEMBL114138 1.00 ALOX15 (1.00) ALOX15KMT2AMAPTMEN1CYP3A4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379663-A2 TERPENE SYNTHASE/CYCLASE AND OLEFIN SYNTHASE AND USES THEREOF Plant Research International B.V. (NL) 2004-01-14 EP disclosed
WO-2002064764-A2 TERPENE SYNTHASE/CYCLASE AND OLEFIN SYNTHASE AND USES THEREOF PLANT RESEARCH INTERNATIONAL B.V. (NL) 2002-08-22 WO disclosed