SCHEMBL7748709

SCHEMBL7748709

CCc1ccccc1S(=O)(=O)NC(CC(=O)OCOC(=O)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.36
CTSS P25774 7/20 0.36
CTSK P43235 6/20 0.36
ATM Q13315 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
SYK P43405 1/20 0.34
ABCB1 P08183 1/20 0.34
KLK5 Q9Y337 2/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7748713 0.80 SYK (0.40) CTSSCTSKALDH1A1SYKCA12
SCHEMBL27463759 0.68 MAPT (0.38) MAPTALDH1A1TSHRMEN1LMNA
SCHEMBL16017792 0.67 CYP1A2 (0.42) CACNA1BCTSSCTSKCTSLCTSB
SCHEMBL19209667 0.66 CA1 (0.45) CTSSCTSKCTSLCTSBMAPT
SCHEMBL7748751 0.66 SYK (0.42) CTSSCTSLMAPTALDH1A1TSHR
SCHEMBL16017899 0.66 CYP2D6 (0.40) CTSSCTSKATMSYKHTT
SCHEMBL6783687 0.65 CACNA1B (0.37) CACNA1BCTSSCTSKCTSLMAPT
SCHEMBL7414276 0.65 ABCB1 (0.43) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL10165268 0.64 ALOX5AP (0.39) ABCB1MMP13
SCHEMBL6936008 0.64 KLK5 (0.52) CTSSCTSKATMCTSLCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed