SCHEMBL11060418

SCHEMBL11060418

C=CCCC/C=C/CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL11060420 1.00 NR1I2 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28499337 1.00 NR1I2 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11220169 0.86 MGLL (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11220172 0.86 MGLL (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11015965 0.84 TSHR (0.43) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11015960 0.84 TSHR (0.43) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL1771475 0.83 PGR (0.51) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL1771472 0.83 PGR (0.51) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28528193 0.83 ALDH1A1 (0.67) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28532928 0.83 ALDH1A1 (0.67) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352586-B2 Dienoates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-06-07 US claimed
US-20210163844-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2021-06-03 US claimed
EP-3765587-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS International Flavors & Fragrances Inc. (US) 2021-01-20 EP claimed
WO-2019177940-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-09-19 WO claimed
US-11352586-B2 Dienoates and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-06-07 US disclosed
US-20210163844-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2021-06-03 US disclosed
EP-3765587-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS International Flavors & Fragrances Inc. (US) 2021-01-20 EP disclosed
WO-2019177940-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-09-19 WO disclosed
WO-2019177940-A1 NOVEL DIENOATES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-09-19 WO disclosed
US-4454333-A DISTILLATION WITH QUATERNARY PHOSPHONIUM, ARSONIUM OR AMMONIUM RHONE-POULENC CHIMIE DE BASE (FR) 1984-06-12 US disclosed
US-4358621-A CATALYTIC HYDROFORMYLATION OF OLEFIN TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed