SCHEMBL7789225

SCHEMBL7789225

CCCC(C)OC(=O)c1ccc(OC(C)=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.41
TMPRSS15 P98073 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOB P27338 3/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.36
CPS1 P31327 3/20 0.36
ELANE P08246 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8608052 0.90 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EALDH1A1MAPT
SCHEMBL7778505 0.90 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EALDH1A1MAPT
SCHEMBL7608739 0.90 PRSS1 (0.41) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL7608743 0.90 PRSS1 (0.41) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL7755291 0.89 PRSS1 (0.39) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL7755287 0.89 PRSS1 (0.39) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL6937264 0.87 PRSS1 (0.42) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL6937258 0.87 PRSS1 (0.42) PRSS1TMPRSS15KDM4EALDH1A1MAOB
SCHEMBL7766592 0.83 KDM4E (0.43) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7796057 0.79 KMT2A (0.41) PRSS1ALDH1A1MAPT

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-0829469-B1 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-12-05 EP disclosed
US-5951914-A Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-09-14 US disclosed
EP-0829469-A2 Racemic compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-18 EP disclosed