Citronellol

Citronellol

SCHEMBL9718745

CC(C)=CCCC(C)CCO.OP(O)(O)=S

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.81
ALDH1A1 P00352 1/20 0.81
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
GGPS1 O95749 2/20 0.36
FDPS P14324 2/20 0.36
NFE2L2 Q16236 1/20 0.35
SQLE Q14534 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
Citronellol SCHEMBL18301310 0.90 ALOX15 (1.00) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL1871004 0.90 ALOX15 (1.00) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL21320 0.90 ALOX15 (1.00) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL301394 0.90 ALOX15 (1.00) ALOX15ALDH1A1USP2TDP1TSHR
(+)-Citronellol SCHEMBL21321 0.90 ALOX15 (1.00) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL11351853 0.88 ALOX15 (0.95) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL17688817 0.88 ALOX15 (0.95) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL28002434 0.88 ALOX15 (0.95) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL30843841 0.88 ALOX15 (0.95) ALOX15ALDH1A1USP2TDP1TSHR
Citronellol SCHEMBL30222407 0.88 ALOX15 (0.95) ALOX15ALDH1A1USP2TDP1TSHR

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
US-5118506-A Mixing with baits in solid or liquid forms which acts as a poison to kill fire ants by ingestion or by respiratory contact; nontoxic to human and animal Casella, Peter F. (US) 1992-06-02 US disclosed