SCHEMBL8407579

SCHEMBL8407579

CC(C)C[C@H](CN[C@H]1CCOC1O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
LARS1 Q9P2J5 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL8564652 1.00 CAPN1 (0.47) CAPN1CA1CA2CA7SMN1; SMN2
SCHEMBL8807825 0.96 CAPN1 (0.44) CAPN1CA1CA2CA7SMN1; SMN2
SCHEMBL8807411 0.90 CA2 (0.52) CAPN1CA1CA2CA7CA4
SCHEMBL8407770 0.89 CAPN1 (0.48) CAPN1CA1CA2CA7SMN1; SMN2
SCHEMBL8809904 0.89 CAPN1 (0.48) CAPN1CA1CA2CA7CA4
SCHEMBL8807363 0.89 CAPN1 (0.60) CAPN1CA1CA2CA7CA4
SCHEMBL8407938 0.88 LARS1 (0.45) CAPN1LARS1CYP1A2CYP2C9CYP2C19
SCHEMBL8808500 0.88 CAPN1 (0.41) CAPN1SMN1; SMN2ALDH1A1
SCHEMBL8810468 0.87 CAPN1 (0.46) CAPN1CA1CA2CA7SMN1; SMN2
SCHEMBL8406492 0.87 CAPN1 (0.48) CAPN1SMN1; SMN2CA9ALDH1A1MMP2

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 7 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 claimed
JP-10045584-A None JP disclosed
JP-9169752-A None JP disclosed
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 EP disclosed
JP-H1045584-A PLATELET AGGREGATION INHIBITOR MITSUBISHI CHEM CORP 1998-02-17 JP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed
JP-H09169752-A OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVE MITSUBISHI CHEM CORP 1997-06-30 JP disclosed