SCHEMBL4807073

SCHEMBL4807073

COS(=O)(=O)[O-].C[S+](C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ FABP5 Q01469 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FABP7 O15540 2/20 0.43
▸ CASP3 P42574 4/20 0.42
▸ EPHX2 P34913 1/20 0.41

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 0.78 FABP5 (0.39) CA1CA2FABP5KMT2AFABP7
SCHEMBL15119354 0.73 KMT2A (0.60) CA1CA2FABP5KMT2AFABP7
SCHEMBL410205 0.73 KMT2A (0.55) CA1CA2FABP5KMT2AFABP7
SCHEMBL30434441 0.73 KMT2A (0.55) CA1CA2FABP5KMT2AFABP7
SCHEMBL29608029 0.73 KMT2A (0.55) CA1CA2FABP5KMT2AFABP7
SCHEMBL13613350 0.73 KMT2A (0.72) CA1CA2FABP5KMT2AFABP7
SCHEMBL44676 0.72 KMT2A (0.58) CA1CA2FABP5KMT2AFABP7
SCHEMBL15981181 0.72 KMT2A (0.58) CA1CA2FABP5KMT2AFABP7
SCHEMBL14300992 0.72 KMT2A (0.51) CA1CA2FABP5KMT2AFABP7
SCHEMBL30433255 0.72 KMT2A (0.55) CA1CA2FABP5KMT2AFABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378490-B1 Cyclic peptides and aids vaccines NISSUI PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 — — US disclosed
EP-1229042-A1 CYCLIC PEPTIDES AND AIDS VACCINES NISSUI PHARMACEUTICAL CO., LTD. (JP) 2002-08-07 — — EP disclosed
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