SCHEMBL8680988

SCHEMBL8680988

CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.44
CAPN1 P07384 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB2 P49721 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL8680993 1.00 EDNRA (0.44) EDNRACAPN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7437245 0.89 CAPN1 (0.46) CAPN1CTSSCTSK
SCHEMBL7437237 0.89 CAPN1 (0.46) CAPN1CTSSCTSK
SCHEMBL8681311 0.89 ALDH1A1 (0.44) CAPN1ALDH1A1HPGDSMN1; SMN2PSMB5
SCHEMBL8680990 0.88 ALDH1A1 (0.40) EDNRAALDH1A1HPGDSMN1; SMN2PSMB5
SCHEMBL7303217 0.85 CAPN1 (0.48) CAPN1PSMB5PSMB1PSMB2CTSL
SCHEMBL7304428 0.85 CAPN1 (0.57) CAPN1CTSLCTSSCTSK
SCHEMBL7312633 0.85 CAPN1 (0.52) CAPN1CTSLCTSK
SCHEMBL7307053 0.85 CAPN1 (0.57) CAPN1CTSLCTSSCTSK
SCHEMBL7430388 0.85 CAPN1 (0.48) CAPN1PSMB5PSMB1PSMB2CTSL

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
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed