SCHEMBL9355666

SCHEMBL9355666

CSc1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ FABP5 Q01469 3/20 0.42
▸ FABP7 O15540 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CASP3 P42574 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL27143076 0.84 FABP5 (0.52) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL14099780 0.83 CYP1A2 (0.47) KMT2AFABP5FABP7EPHX2MAPT
SCHEMBL9647974 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL14590853 0.81 FABP5 (0.47) KMT2AFABP5FABP7EPHX2CASP3
Methylsulfanylmethane SCHEMBL8351795 0.81 FABP5 (0.39) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL4293800 0.80 FABP5 (0.48) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL9225108 0.80 GAA (0.49) KMT2AFABP5FABP7EPHX2
SCHEMBL9225114 0.79 FABP5 (0.44) KMT2AFABP5FABP7EPHX2
SCHEMBL44676 0.78 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL2485380 0.77 FABP5 (0.39) KMT2AFABP5FABP7EPHX2CASP3

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-0406567-B1 Process for the production of sulfonium compounds and novel methylthiophenol derivatives MITSUBISHI GAS CHEMICAL CO (JP) 1994-09-28 — — EP 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
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