SCHEMBL8499549

SCHEMBL8499549

COC(=O)C1Cc2cc3c(cc2S(=O)(=O)N1)OCCO3

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 13/20 0.43
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLK1 P53350 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL8496515 0.84 CAPN1 (0.46) CAPN1MTNR1A
SCHEMBL8499695 0.83 CAPN1 (0.43) CAPN1MTNR1AALDH1A1KDM4E
SCHEMBL8498085 0.71 CAPN1 (0.62) CAPN1
SCHEMBL8499527 0.68 CAPN1 (0.57) CAPN1ALDH1A1KDM4E
SCHEMBL8499658 0.67 CAPN1 (0.53) CAPN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8497642 0.65 CAPN1 (0.55) CAPN1
SCHEMBL8494762 0.63 CAPN1 (0.58) CAPN1
SCHEMBL8497487 0.63 CAPN1 (0.58) CAPN1
SCHEMBL8500284 0.62 CAPN1 (0.54) CAPN1
SCHEMBL7355411 0.61 CAPN1 (0.62) 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
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed