SCHEMBL6937258

SCHEMBL6937258

CC(=O)Oc1ccc(C(=O)OC(C)CC(C)C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.42
TMPRSS15 P98073 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 4/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CPS1 P31327 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6937264 1.00 PRSS1 (0.42) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7608739 0.90 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7608743 0.90 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7789225 0.87 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7755291 0.84 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7755287 0.84 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7778505 0.83 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EMAPTALDH1A1
SCHEMBL8608052 0.83 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EMAPTALDH1A1
SCHEMBL7766592 0.82 KDM4E (0.43) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7541015 0.80 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBMAPT

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-0978504-B1 Anti-ferroelectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2003-07-02 EP disclosed
US-6133469-A HIGH PERFORMANCE LIQUID CRYSTAL DISPLAY DEVICES HAVING LARGER DISPLAY CAPACITY MITSUBISHI GAS CHEMICAL COMPANY (JP) 2000-10-17 US disclosed
EP-0978504-A1 Anti-ferroelectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-09 EP disclosed