Nerol

Nerol

SCHEMBL458984

CC(C)=CCC/C(C)=C\CO.CCOC/C=C(/C)CCC=C(C)C

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 2/20 0.68
MAPT P10636 2/20 0.66
ALDH1A1 P00352 2/20 0.66
UGT1A1 P22309 1/20 0.66
SQLE Q14534 5/20 0.48
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45

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
SCHEMBL358273 0.93 ALOX15 (0.58) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL560298 0.93 ALOX15 (0.58) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL560299 0.93 ALOX15 (0.58) ALOX15KMT2AMEN1CYP3A4MAPT
Geraniol SCHEMBL358272 0.91 KMT2A (0.76) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL6442176 0.91 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT
Geraniol SCHEMBL358274 0.91 KMT2A (0.76) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL15370334 0.91 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT
Geraniol SCHEMBL458983 0.91 KMT2A (0.76) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL6442169 0.91 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT
SCHEMBL14077034 0.91 KMT2A (0.61) ALOX15KMT2AMEN1CYP3A4MAPT

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-2595642-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS The Procter and Gamble Company (US) 2013-05-29 EP disclosed
WO-2012012385-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2012-01-26 WO disclosed