SCHEMBL4649593

SCHEMBL4649593

CC(=O)OC(CCC(C)CCC=C(C)C)(CCC(C)CCC=C(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
ALDH1A1 P00352 1/20 0.40
NFE2L2 Q16236 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35
KIF11 P52732 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
BCL2L1 Q07817 2/20 0.34
MCL1 Q07820 2/20 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
SCHEMBL21300613 0.69 ALOX15 (0.43) ALOX15ALDH1A1NFE2L2ATMTDP1
SCHEMBL585939 0.69 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2TDP1
SCHEMBL5605056 0.69 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2TDP1
SCHEMBL5605059 0.69 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2TDP1
Citronellyl Acetate SCHEMBL27729900 0.69 ALOX15 (0.69) ALOX15ALDH1A1NFE2L2ATMTDP1
SCHEMBL10234508 0.69 CYP2C19 (0.46) ALDH1A1TSHRKIF11CYP1A2CYP2D6
SCHEMBL4226867 0.69 ALOX15 (0.45) ALOX15ALDH1A1NFE2L2ATMTDP1
SCHEMBL585541 0.68 ALOX15 (0.52) ALOX15ALDH1A1NFE2L2TDP1TSHR
SCHEMBL4940586 0.68 ALOX15 (0.52) ALOX15ALDH1A1NFE2L2ATMTDP1
SCHEMBL3504902 0.68 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-6114302-A STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-05 US disclosed
US-6087322-A Fragrance pro-accords THE PROCTER & GAMBLE COMPANY (US) 2000-07-11 US disclosed
US-6077821-A FOR USE IN DELIVERING SUSTAINED RELEASE OR ENHANCED LONGEVITY FRAGRANCES TO A VARIETY OF PERSONAL CARE AND PERSONAL HYGIENE PRODUCTS INTER ALIA DEODORANTS, BODY LOTIONS OR CREAMS, AND SHAMPOOS THE PROCTER & GAMBLE COMPANY (US) 2000-06-20 US disclosed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed