SCHEMBL6933181

SCHEMBL6933181

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPK1 P28482 3/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
CPS1 P31327 1/20 0.37
POLB P06746 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
SCHEMBL7608743 0.83 PRSS1 (0.41) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL7608739 0.83 PRSS1 (0.41) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL6936706 0.82 SERPINE1 (0.53) GABRA1GABRB1GABRA3GABRB2MAPK1
SCHEMBL6937264 0.80 PRSS1 (0.42) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL6937258 0.80 PRSS1 (0.42) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL7541015 0.79 PRSS1 (0.39) MAPK1HSD17B10ALDH1A1PRSS1TMPRSS15
SCHEMBL7541010 0.79 PRSS1 (0.39) MAPK1HSD17B10ALDH1A1PRSS1TMPRSS15
SCHEMBL7945142 0.79 ALDH1A1 (0.44) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL7789225 0.78 PRSS1 (0.41) MAPK1ALDH1A1PRSS1TMPRSS15KDM4E
SCHEMBL6933189 0.77 KMT2A (0.42) ALDH1A1PRSS1KMT2AMAPTLMNA

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-0994097-B1 Novel phenyl triester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2003-09-03 EP disclosed
US-6217954-B1 AROMATIC TRIESTERS WITH ANTIFERROELECTRIC LIQUID CRYSTALS MITSUBISHI GAS CHEMICAL CO INC (JP) 2001-04-17 US disclosed
EP-0994097-A2 Novel phenyl triester compound and anti-ferroelectric liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-04-19 EP disclosed