SCHEMBL20608591

SCHEMBL20608591

CCCCCC(=O)CC(C)CCC=C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
GGPS1 O95749 2/20 0.41
FDPS P14324 2/20 0.41
FAAH O00519 2/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
ASAH2 Q9NR71 1/20 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
SCHEMBL7268534 0.83 FAAH (0.41) ALOX15USP2TSHRFAAHMAPT
SCHEMBL14716559 0.83 MAPT (0.42) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL5610763 0.83 MAPT (0.42) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL5610767 0.83 MAPT (0.42) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL31022602 0.82 TSHR (0.44) ALOX15USP2TSHRFAAHMAPT
SCHEMBL17865330 0.81 ALOX15 (0.49) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL14425131 0.81 ALOX15 (0.40) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL14425128 0.81 ALOX15 (0.40) ALOX15ALDH1A1USP2TSHRGGPS1
Citronellal SCHEMBL28027894 0.81 ALOX15 (0.40) ALOX15ALDH1A1USP2TSHRGGPS1
SCHEMBL11461313 0.79 ACE2 (0.53) ALDH1A1TSHRFAAHMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed