SCHEMBL3146933

SCHEMBL3146933

CC/C=C\CCOC(OCC)(OCC)OCC/C=C\CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8378788 1.00 LPAR2 (0.32) LPAR2LPAR3LPAR1NR1I2PGR
SCHEMBL8376161 0.93 LPAR2 (0.35) LPAR2LPAR3LPAR1NR1I2PGR
SCHEMBL8377633 0.82 LPAR2 (0.32) LPAR2LPAR3LPAR1
SCHEMBL28644638 0.78
SCHEMBL8374093 0.73 EPHX2 (0.39)
SCHEMBL46525 0.71
SCHEMBL17787225 0.70
SCHEMBL8377738 0.70
SCHEMBL4304065 0.69 LPAR2 (0.39) LPAR2LPAR3LPAR1NR1I2PGR
SCHEMBL4304069 0.69 LPAR2 (0.39) LPAR2LPAR3LPAR1NR1I2PGR

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 claimed
EP-1171566-B1 PRO-FRAGRANCES PROCTER & GAMBLE (US) 2004-12-22 EP claimed
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 claimed
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
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US disclosed