SCHEMBL7755291

SCHEMBL7755291

CCC(CC)CC[C@@H](C)OC(=O)c1ccc(OC(C)=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
TMPRSS15 P98073 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAOB P27338 3/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAOA P21397 1/20 0.34
CPS1 P31327 3/20 0.34
GAA P10253 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
SCHEMBL7755287 1.00 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBELANE
SCHEMBL7789225 0.89 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBELANE
SCHEMBL7608743 0.89 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7608739 0.89 PRSS1 (0.41) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7778505 0.85 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EMAPTALDH1A1
SCHEMBL8608052 0.85 ALDH1A1 (0.53) PRSS1TMPRSS15KDM4EMAPTALDH1A1
SCHEMBL6937264 0.84 PRSS1 (0.42) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL6937258 0.84 PRSS1 (0.42) PRSS1TMPRSS15KDM4EMAOBMAPT
SCHEMBL7766592 0.82 KDM4E (0.43) PRSS1TMPRSS15KDM4EMAOBELANE
SCHEMBL7945142 0.80 ALDH1A1 (0.44) 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-0893429-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-03-07 EP disclosed
US-5972243-A FOR USE IN AN ACTIVE MATRIX-TYPE LIQUID CRYSTAL DISPLAY DEVICE IN WHICH EACH PIXEL IS INDIVIDUALLY DRIVEN BY THIN FILM TRANSISTOR OR METAL INSULATOR METAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-26 US disclosed
EP-0893429-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-01-27 EP disclosed