SCHEMBL8406509

SCHEMBL8406509

CC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCO[C@H]1OC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.45
CTSL P07711 5/20 0.44
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
CAPNS1 P04632 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CTSB P07858 1/20 0.41
AIMP2 Q13155 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8406502 1.00 CAPN1 (0.45) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8808424 0.92 CAPN1 (0.42) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8808437 0.92 CAPN1 (0.42) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8407799 0.92 ALDH1A1 (0.42) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8407804 0.92 ALDH1A1 (0.42) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8811341 0.91 CAPN1 (0.47) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8811330 0.91 CAPN1 (0.47) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8404242 0.90 CAPN1 (0.54) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8404247 0.90 CAPN1 (0.54) CAPN1CTSLCTSSCTSKCAPNS1
SCHEMBL8813441 0.89 CAPN1 (0.46) CAPN1CTSLCTSSCTSKCAPNS1

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
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed