SCHEMBL3164976

SCHEMBL3164976

CC(C)=CCCC(C)=CCOC(OCC=C(C)CCC=C(C)C)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.55
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL3164962 1.00 TRPV1 (0.55) TRPV1FNTAFNTBALDH1A1ALOX15
SCHEMBL3275029 0.83 TRPV1 (0.58) TRPV1FNTAFNTBALDH1A1ALOX15
SCHEMBL31344415 0.83 TRPV1 (0.58) TRPV1FNTAFNTBALDH1A1ALOX15
SCHEMBL795298 0.82 TRPV1 (0.60) TRPV1ALDH1A1ALOX15LSS
SCHEMBL795297 0.82 TRPV1 (0.60) TRPV1ALDH1A1ALOX15LSS
SCHEMBL3155455 0.82 FNTA (0.64) FNTAFNTBALDH1A1ALOX15
SCHEMBL11039511 0.81 TRPV1 (0.59) TRPV1FNTAFNTBALOX15LSS
SCHEMBL11039509 0.81 TRPV1 (0.59) TRPV1FNTAFNTBALOX15LSS
SCHEMBL10389228 0.81 TRPV1 (0.49) TRPV1FNTAFNTBALDH1A1ALOX15
SCHEMBL781355 0.81 TRPV1 (0.49) TRPV1FNTAFNTBALDH1A1ALOX15

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