SCHEMBL8403869

SCHEMBL8403869

COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N[C@H]2CCO[C@H]2OC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CAPNS1 P04632 1/20 0.47
BMP1 P13497 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
TP53 P04637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP7 P09237 1/20 0.40
AIMP2 Q13155 1/20 0.39
MMP9 P14780 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8403866 1.00 CAPN1 (0.50) CAPN1L3MBTL1CAPNS1BMP1ALDH1A1
SCHEMBL8810089 0.91 CAPN1 (0.49) CAPN1CAPNS1ALDH1A1HPGDHSD17B10
SCHEMBL8810081 0.91 CAPN1 (0.49) CAPN1CAPNS1ALDH1A1HPGDHSD17B10
SCHEMBL7514483 0.90 CAPN1 (0.49) CAPN1CAPNS1MMP2MMP3MMP13
SCHEMBL8406511 0.90 CAPN1 (0.49) CAPN1CAPNS1MMP2MMP3MMP13
SCHEMBL8406503 0.90 CAPN1 (0.49) CAPN1CAPNS1MMP2MMP3MMP13
SCHEMBL8404247 0.90 CAPN1 (0.54) CAPN1CAPNS1MEN1KMT2A
SCHEMBL8404242 0.90 CAPN1 (0.54) CAPN1CAPNS1MEN1KMT2A
SCHEMBL7522589 0.88 CAPN1 (0.47) CAPN1CAPNS1MMP2MMP3MMP13
SCHEMBL8404230 0.88 CAPN1 (0.54) CAPN1CAPNS1MEN1KMT2A

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-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed