SCHEMBL8744188

SCHEMBL8744188

C=CC(CC#N)OC(=O)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PRKCA P17252 2/20 0.35
PRKCE Q02156 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
HSP90AA1 P07900 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8744238 0.90 ALDH1A1 (0.36) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL8744242 0.83 ALDH1A1 (0.30) TSHRALDH1A1MEN1KMT2A
SCHEMBL4666561 0.80 LMNA (0.46) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL7591537 0.79 LMNA (0.56) LMNAMAPTTSHRALDH1A1PRKCA
SCHEMBL16874350 0.77 LMNA (0.55) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL8744171 0.76 TSHR (0.33) TSHR
SCHEMBL16874335 0.76 LMNA (0.58) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL16874357 0.76 LMNA (0.58) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL16874343 0.76 LMNA (0.58) LMNAMAPTMAPK1TSHRALDH1A1
SCHEMBL29091117 0.76 LMNA (0.44) LMNAMAPTMAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
US-5463103-A Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP disclosed