SCHEMBL3146565

SCHEMBL3146565

C=CCC1C(=O)C(=C(C)C)CCC1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31

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
SCHEMBL10939581 0.75 PRSS1 (0.39) PRSS1CTRCF2MEN1ALDH1A1
SCHEMBL9445836 0.71 NFE2L2 (0.31)
SCHEMBL14503064 0.69 PRSS1 (0.40) PRSS1CTRCF2MEN1ALDH1A1
SCHEMBL13255136 0.68
SCHEMBL6902937 0.64 PRSS1 (0.33) PRSS1CTRCF2ELANECTSG
SCHEMBL14781266 0.62 MEN1 (0.35) PRSS1CTRCF2MEN1ALDH1A1
SCHEMBL25097705 0.61 NFE2L2 (0.35)
SCHEMBL21601874 0.61 PRSS1 (0.39) PRSS1CTRCF2ALDH1A1ELANE
SCHEMBL10549716 0.61 PRSS1 (0.35) PRSS1CTRCF2ALDH1A1
SCHEMBL10406322 0.60 MEN1 (0.42) PRSS1CTRCF2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185239-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2010-03-10 EP disclosed
US-6861402-B1 Pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2005-03-01 US disclosed
US-6551987-B1 For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins THE PROCTER & GAMBLE COMPANY 2003-04-22 US disclosed
EP-1171566-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2002-01-16 EP disclosed
WO-2000063339-A1 PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-10-26 WO disclosed