SCHEMBL8809909

SCHEMBL8809909

CC(C)CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.58
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.54
MMP7 P09237 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
CAPNS1 P04632 2/20 0.44
AIMP2 Q13155 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8809901 1.00 CAPN1 (0.58) CAPN1MMP1MMP2MMP3MMP7
SCHEMBL8807417 0.91 CAPN1 (0.63) CAPN1AIMP2MEN1KMT2A
SCHEMBL8807405 0.91 CAPN1 (0.63) CAPN1AIMP2MEN1KMT2A
SCHEMBL8407773 0.90 CAPN1 (0.58) CAPN1CAPNS1AIMP2MEN1KMT2A
SCHEMBL8807368 0.90 CAPN1 (0.73) CAPN1CAPNS1
SCHEMBL8407768 0.90 CAPN1 (0.58) CAPN1CAPNS1AIMP2MEN1KMT2A
SCHEMBL8807375 0.90 CAPN1 (0.73) CAPN1CAPNS1
SCHEMBL8564657 0.90 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8407583 0.90 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8407577 0.90 CAPN1 (0.63) CAPN1CAPNS1

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