SCHEMBL9647974

SCHEMBL9647974

C[S+](C)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

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
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35

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
SCHEMBL2485380 0.92 FABP5 (0.39) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL9355864 0.92 FABP5 (0.39) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27143076 0.84 FABP5 (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14099780 0.83 CYP1A2 (0.47) KMT2AFABP5FABP7EPHX2
SCHEMBL9355666 0.82 KMT2A (0.43) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14590853 0.81 FABP5 (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4293800 0.80 FABP5 (0.48) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL9225108 0.80 GAA (0.49) KMT2AFABP5FABP7EPHX2MDM2
SCHEMBL9777797 0.79 FABP5 (0.46) KMT2AFABP5FABP7EPHX2CA1
Trifluoromethanesulfonic Acid SCHEMBL9323678 0.79 CA1 (0.38) KMT2AFABP5FABP7EPHX2CA1

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-0346756-B1 PROCESS FOR PRODUCTION OF SULFONIUM COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-10-28 — — EP disclosed
US-5021197-A Reacting a p-dialkylsulfoniophenol with a carbonyl halogenide in the presence of a secondary amine MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-06-04 — — US disclosed
EP-0346756-A1 Process for production of sulfonium compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-12-20 — — EP disclosed
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