SCHEMBL3274963

SCHEMBL3274963

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.59
FNTA P49354 6/20 0.48
FNTB P49356 6/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TRPA1 O75762 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
UGT1A1 P22309 1/20 0.42
SQLE Q14534 2/20 0.41
GGPS1 O95749 1/20 0.41

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
SCHEMBL20482230 1.00 ALOX15 (0.59) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL27640510 0.97 ALOX15 (0.56) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL30618052 0.91 ALOX15 (0.52) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL7062803 0.91 ALOX15 (0.52) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL7059001 0.91 ALOX15 (0.52) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL30618053 0.91 ALOX15 (0.52) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL580034 0.91 ALOX15 (0.52) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL28220907 0.89 ALOX15 (0.50) ALOX15FNTAFNTBKMT2AMAPT
Acetic Acid SCHEMBL2058810 0.89 ALOX15 (0.50) ALOX15FNTAFNTBKMT2AMAPT
SCHEMBL29833556 0.89 ALOX15 (0.48) ALOX15FNTAFNTBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854777-A2 METHOD FOR THE PRODUCTION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ACYLATED ALLYLIC ALCOHOLS BASF SE (DE) 2021-07-28 EP disclosed
EP-3585764-B1 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS BASF SE (DE) 2021-01-27 EP disclosed
WO-2018153727-A2 PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS BASF SE (DE) 2018-08-30 WO disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
EP-1920042-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-14 EP disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed