SCHEMBL8153295

SCHEMBL8153295

CC(C)=CCCC(C)CCOC(=O)C=CC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.75
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.47
NFE2L2 Q16236 1/20 0.44
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37

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
SCHEMBL8661556 1.00 ALOX15 (0.75) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL8660314 0.94 ALOX15 (0.67) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL5166720 0.92 ALOX15 (0.69) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL11335627 0.90 ALOX15 (0.75) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL3193137 0.90 ALOX15 (0.75) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL27967583 0.88 ALOX15 (0.73) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL27494 0.87 ALOX15 (0.71) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL30667366 0.87 ALOX15 (0.71) ALOX15ALDH1A1USP2NFE2L2EPHX2
SCHEMBL6951123 0.86 ALOX15 (0.80) ALOX15ALDH1A1USP2NFE2L2EPHX2
Citronellyl Acetate SCHEMBL20912959 0.86 ALOX15 (1.00) ALOX15ALDH1A1USP2NFE2L2EPHX2

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-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP disclosed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 WO disclosed