SCHEMBL8744116

SCHEMBL8744116

CCCCCOCC=CCOCCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 2/20 0.43
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
CES1 P23141 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
SCHEMBL8482915 0.97 THRB (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL8482916 0.97 THRB (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL8373529 0.93 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL10896260 0.93 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL27271897 0.93 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL30297390 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL5520469 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL5520472 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL10170027 0.92 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL27512003 0.91 LPAR1 (0.48)

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