SCHEMBL1871307

SCHEMBL1871307

CC(C)=CCCC(C)CCOC=O.CC(C)=CCCC(C)CCOC=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.64
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.46
NFE2L2 Q16236 1/20 0.46
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.37
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35

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
SCHEMBL23832186 1.00 ALOX15 (0.64) ALOX15ALDH1A1TSHRNFE2L2USP2
SCHEMBL416782 1.00 ALOX15 (0.64) ALOX15ALDH1A1TSHRNFE2L2USP2
Formic Acid SCHEMBL17748814 0.96 ALOX15 (0.65) ALOX15ALDH1A1TSHRNFE2L2USP2
Citronellal SCHEMBL5367751 0.92 ALOX15 (0.55) ALOX15ALDH1A1TSHRNFE2L2USP2
SCHEMBL22498579 0.89 ALOX15 (0.65) ALOX15ALDH1A1TSHRNFE2L2USP2
SCHEMBL2330452 0.89 ALOX15 (0.56) ALOX15ALDH1A1TSHRNFE2L2USP2
Citronellyl Acetate SCHEMBL3666360 0.85 ALOX15 (0.73) ALOX15ALDH1A1TSHRNFE2L2USP2
Aniline SCHEMBL28146933 0.84 ALOX15 (0.48) ALOX15ALDH1A1TSHRNFE2L2USP2
Benzaldehyde SCHEMBL25344360 0.84 ALOX15 (0.48) ALOX15ALDH1A1TSHRNFE2L2USP2
Linalool SCHEMBL4457472 0.83 ALOX15 (0.56) ALOX15ALDH1A1TSHRNFE2L2USP2

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed