SCHEMBL4799720

SCHEMBL4799720

COC(=O)C=CCCC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CASP1 P29466 1/20 0.33
TTR P02766 1/20 0.33
APP P05067 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GFPT1 Q06210 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL4799716 1.00 HCAR2 (0.46) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL11747448 0.89 HCAR2 (0.43) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL11747435 0.89 HCAR2 (0.43) HCAR2KEAP1NFE2L2MEN1KMT2A
Methacrylic Acid SCHEMBL28832901 0.88 ALDH1A1 (0.38) HCAR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL9999399 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL9999396 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL20010940 0.85 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL12620691 0.81 MAPT (0.56) HCAR2MEN1KMT2AMAPTALDH1A1
SCHEMBL15062325 0.77 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL21610096 0.77

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
US-7371890-B2 Method for the continuous production of a compound that carries at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070037999-A1 Method for isolating a homogeneous catalyst containing rhodium BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070034576-A1 Method for separating a homogeneous catalyst BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20060247459-A1 Method for the hydration of a monoolefinically unsaturated compound carrying at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
US-20060178525-A1 Method for the continuous production of a compound that carries at least two functional groups BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 US disclosed
EP-1651346-A1 METHOD FOR SEPARATING A HOMOGENEOUS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2006-05-03 EP disclosed
EP-1641739-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF A COMPOUND THAT CARRIES AT LEAST TWO FUNCTIONAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-04-05 EP disclosed
EP-1641736-A1 METHOD FOR ISOLATING A HOMOGENEOUS CATALYST CONTAINING RHODIUM BASF AKTIENGESELLSCHAFT (DE) 2006-04-05 EP disclosed
EP-1620386-A1 METHOD FOR THE HYDRATION OF A MONOOLEFINICALLY UNSATURATED COMPOUND CARRYING AT LEAST TWO FUNCTIONAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-02-01 EP disclosed
WO-2004113261-A1 METHOD FOR ISOLATING A HOMOGENEOUS CATALYST CONTAINING RHODIUM BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004112957-A1 METHOD FOR SEPARATING A HOMOGENEOUS CATALYST BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004113263-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF A COMPOUND THAT CARRIES AT LEAST TWO FUNCTIONAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
WO-2004094360-A1 METHOD FOR THE HYDRATION OF A MONOOLEFINICALLY UNSATURATED COMPOUND CARRYING AT LEAST TWO FUNCTIONAL GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-11-04 WO disclosed