SCHEMBL8088730

SCHEMBL8088730

CC(=O)Oc1ccc(C(=O)O[C@H](CCCCCOCCF)C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
LSS P48449 2/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8088727 1.00 RARA (0.34) RARARARBLSSPRSS1TMPRSS15
SCHEMBL8081640 0.91 KMT2A (0.39) RARARARBLSSPRSS1TMPRSS15
SCHEMBL8100235 0.87 KMT2A (0.40) RARARARBPRSS1TMPRSS15KDM4E
SCHEMBL7755224 0.87 KMT2A (0.40) RARARARBPRSS1TMPRSS15KDM4E
SCHEMBL8083853 0.85 CA12 (0.33) RARARARB
SCHEMBL8083855 0.85 CA12 (0.33) RARARARB
SCHEMBL8075492 0.84 RARB (0.46) RARARARBPRSS1KMT2AMAPT
SCHEMBL7541015 0.81 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBKMT2A
SCHEMBL7541010 0.81 PRSS1 (0.39) PRSS1TMPRSS15KDM4EMAOBKMT2A
SCHEMBL7754291 0.79 RARB (0.49) RARARARBPRSS1KMT2AMAPT

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-0855383-B1 Anti-ferroelectric liquid crystal compounds MITSUBISHI GAS CHEMICAL CO (JP) 2000-10-25 EP disclosed
US-5968413-A FLUORINE SUBSTITUTED ETHOXY-ALKYLOXYCARBONYLPHENYL-4-(4*-ALKYLOXYBIPHENY) CARBOXYLATE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-19 US disclosed
EP-0855383-A2 Anti-ferroelectric liquid crystal compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-29 EP disclosed