SCHEMBL8081640

SCHEMBL8081640

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
LSS P48449 2/20 0.33
KDM4E B2RXH2 3/20 0.33
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CPS1 P31327 2/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
CRBN Q96SW2 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
SCHEMBL7755224 0.96 KMT2A (0.40) KMT2AL3MBTL1RARARARBKDM4E
SCHEMBL8100235 0.96 KMT2A (0.40) KMT2AL3MBTL1RARARARBKDM4E
SCHEMBL8088730 0.91 RARA (0.34) KMT2ARARARARBLSSKDM4E
SCHEMBL8088727 0.91 RARA (0.34) KMT2ARARARARBLSSKDM4E
SCHEMBL8081657 0.85 CA12 (0.35) RARARARBKDM4EALDH1A1
SCHEMBL6933707 0.85 CA12 (0.35) RARARARBKDM4EALDH1A1
SCHEMBL8074343 0.85 NPC1 (0.45) KMT2ARARARARBPRSS1ALDH1A1
SCHEMBL8975370 0.84 KMT2A (0.50) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL8979860 0.84 KMT2A (0.50) KMT2AL3MBTL1KDM4EALDH1A1GAA
SCHEMBL7755084 0.84 RARB (0.46) KMT2ARARARARBPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9165356-A None JP disclosed
EP-0792868-B1 Process for the production of phenol derivatives MITSUBISHI GAS CHEMICAL CO (JP) 2000-12-27 EP disclosed
EP-0780456-B1 Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL CO (JP) 2000-10-11 EP disclosed
US-5756816-A DEPROTECTING AN ESTER USING A NON-SUBSTITUTE ALKYLAMINE AS A PROTECTION-REMOVAL AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-26 US disclosed
US-5723069-A Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-03-03 US disclosed
EP-0792868-A1 Process for the production of phenol derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-09-03 EP disclosed
EP-0780456-A1 Anti-ferroelectric liquid crystal compound and anti-ferroelectric liquid crystal composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-06-25 EP disclosed
JP-H09165356-A ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION MITSUBISHI GAS CHEM CO INC 1997-06-24 JP disclosed