Citronellol

Citronellol

SCHEMBL7576962

CC(C)=CCCC(C)CCO.O=Cc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP2A6 P11509 1/20 0.41
TRPA1 O75762 1/20 0.41
NFE2L2 Q16236 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SRC P12931 1/20 0.35
MSR1 P21757 1/20 0.34

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
Citronellal SCHEMBL3178062 0.85 ALDH1A1 (0.41) ALOX15ALDH1A1CYP2A6NFE2L2ATM
Benzaldehyde SCHEMBL25344360 0.83 ALOX15 (0.48) ALOX15ALDH1A1CYP2A6NFE2L2ATM
Citronellol SCHEMBL29242937 0.83 ALOX15 (0.55) ALOX15ALDH1A1ATMTDP1L3MBTL1
Citronellol SCHEMBL17580723 0.81 ALOX15 (0.64) ALOX15ALDH1A1TRPA1NFE2L2ATM
Citronellol SCHEMBL28238103 0.80 ALOX15 (0.58) ALOX15ALDH1A1TRPA1NFE2L2ATM
Citronellol SCHEMBL3326297 0.79 ALOX15 (0.84) ALOX15ALDH1A1NFE2L2TDP1TSHR
Citronellol SCHEMBL15902426 0.79 ALOX15 (0.84) ALOX15ALDH1A1NFE2L2ATMTDP1
Citronellol SCHEMBL1871004 0.79 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2TDP1TSHR
Citronellol SCHEMBL21320 0.79 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2TDP1TSHR
Citronellol SCHEMBL18301310 0.79 ALOX15 (1.00) ALOX15ALDH1A1NFE2L2TDP1TSHR

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002087388-A1 CONTAINER FOR CLEANING IMPLEMENTS, IN ADDITION TO AN INSERTION BODY, TOOTHBRUSH AND RESERVOIR NEUFELD KLAUS (AT) 2002-11-07 WO disclosed