SCHEMBL7755224

SCHEMBL7755224

CCOCCCC(OC(=O)c1ccc(OC(C)=O)cc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
CPS1 P31327 2/20 0.33
GAA P10253 1/20 0.32
MAOB P27338 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAOA P21397 1/20 0.31

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
SCHEMBL8100235 1.00 KMT2A (0.40) KMT2AL3MBTL1RARARARBKDM4E
SCHEMBL8081640 0.96 KMT2A (0.39) KMT2AL3MBTL1RARARARBKDM4E
SCHEMBL8088727 0.87 RARA (0.34) KMT2ARARARARBKDM4EPRSS1
SCHEMBL8088730 0.87 RARA (0.34) KMT2ARARARARBKDM4EPRSS1
SCHEMBL8107463 0.85 CA12 (0.36) RARARARBKDM4EALDH1A1
SCHEMBL8107467 0.85 CA12 (0.36) RARARARBKDM4EALDH1A1
SCHEMBL7541015 0.84 PRSS1 (0.39) KMT2AKDM4EALDH1A1PRSS1TMPRSS15
SCHEMBL7541010 0.84 PRSS1 (0.39) KMT2AKDM4EALDH1A1PRSS1TMPRSS15
SCHEMBL7750674 0.82 RARB (0.46) KMT2ARARARARBPRSS1MAPT
SCHEMBL9217422 0.82 RARB (0.46) KMT2ARARARARBPRSS1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737733-B1 Liquid crystal compound having ferrielectric phase and liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2001-02-21 EP disclosed
EP-0974635-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-01-26 EP disclosed
US-5728864-A AROMATIC DIESTERS FOR INJECTION BETWEEN SUBSTRATES FOR LIQUID CRYSTAL DISPLAYS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-17 US disclosed
EP-0737733-A1 Liquid crystal compound having ferrielectric phase and liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-16 EP disclosed