SCHEMBL8807405

SCHEMBL8807405

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.63
AIMP2 Q13155 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PLAU P00749 1/20 0.50
HPN P05981 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8807417 1.00 CAPN1 (0.63) CAPN1AIMP2MEN1KMT2APLAU
SCHEMBL8809901 0.91 CAPN1 (0.58) CAPN1AIMP2MEN1KMT2A
SCHEMBL8807368 0.91 CAPN1 (0.73) CAPN1
SCHEMBL8807375 0.91 CAPN1 (0.73) CAPN1
SCHEMBL8407773 0.91 CAPN1 (0.58) CAPN1AIMP2MEN1KMT2A
SCHEMBL8809909 0.91 CAPN1 (0.58) CAPN1AIMP2MEN1KMT2A
SCHEMBL8407768 0.91 CAPN1 (0.58) CAPN1AIMP2MEN1KMT2A
SCHEMBL8407583 0.91 CAPN1 (0.63) CAPN1
SCHEMBL8564657 0.91 CAPN1 (0.63) CAPN1
SCHEMBL8407577 0.91 CAPN1 (0.63) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed