SCHEMBL9355695

SCHEMBL9355695

CSc1ccc(OC(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ELANE P08246 1/20 0.35
RAB9A P51151 1/20 0.34
PLK1 P53350 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 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
SCHEMBL3227056 0.79 MAPT (0.36) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL9351782 0.79 MEN1 (0.50) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL575458 0.78 ATM (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16702787 0.76 MEN1 (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10527711 0.76 ALDH1A1 (0.46) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9378048 0.76 CHRM2 (0.31) MEN1KMT2AELANE
SCHEMBL9355681 0.75 CYP3A4 (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL16635653 0.75 MAPT (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL20537070 0.74 KMT2A (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2289818 0.74 ELANE (0.42) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406567-B1 Process for the production of sulfonium compounds and novel methylthiophenol derivatives MITSUBISHI GAS CHEMICAL CO (JP) 1994-09-28 EP claimed
US-5149857-A Reacting alkylthiophenyl carbonates with dialkyl sulfates MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-22 US claimed
EP-0406567-B1 Process for the production of sulfonium compounds and novel methylthiophenol derivatives MITSUBISHI GAS CHEMICAL CO (JP) 1994-09-28 EP disclosed
US-5149857-A Reacting alkylthiophenyl carbonates with dialkyl sulfates MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-09-22 US disclosed
EP-0406567-A2 Process for the production of sulfonium compounds and novel methylthiophenol derivatives MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-01-09 EP disclosed