SCHEMBL9718748

SCHEMBL9718748

CC(C)=CCCC(C)CCOP(O)(O)=S

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.56
ALDH1A1 P00352 1/20 0.52
NFE2L2 Q16236 1/20 0.41
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LPAR3 Q9UBY5 5/20 0.37
LPAR2 Q9HBW0 4/20 0.37
LPAR1 Q92633 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6689625 0.83 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2USP2TSHR
Hydrochloric Acid SCHEMBL6698170 0.81 ALOX15 (0.58) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL9718741 0.80 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
Ethyl Citronellyl Phopshorochloridothionate SCHEMBL8844308 0.80 ALOX15 (0.49) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL22235275 0.78 BTN3A1 (0.54) ALOX15ALDH1A1
SCHEMBL6690483 0.78 BTN3A1 (0.54) ALOX15ALDH1A1
SCHEMBL8397532 0.77 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL8059226 0.77 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL8159094 0.77 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2TDP1
Citronellol SCHEMBL9718745 0.77 ALOX15 (0.81) ALOX15ALDH1A1NFE2L2USP2TDP1

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