SCHEMBL8793902

SCHEMBL8793902

COCCOCCOCc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CTSK P43235 11/20 0.47
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
CAPN1 P07384 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL30205674 0.83 TDP1 (0.56) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL29436139 0.83 TDP1 (0.56) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL30070636 0.80 TDP1 (0.53) MEN1KMT2ACTSKCTSLCTSB
Hydrochloric Acid SCHEMBL9300196 0.80 POLB (0.50) MEN1KMT2AAAK1KDM4EALDH1A1
SCHEMBL30070627 0.79 MMP3 (0.52) CTSKCTSLCTSBMMP1MMP3
SCHEMBL29419657 0.79 SIRT5 (0.54) MEN1KMT2ACTSKCTSLMMP1
SCHEMBL15569405 0.79 SIRT5 (0.54) MEN1KMT2ACTSKCTSLMMP1
SCHEMBL29742197 0.79 SIRT5 (0.54) MEN1KMT2ACTSKCTSLMMP1
SCHEMBL29419659 0.79 SIRT5 (0.54) MEN1KMT2ACTSKCTSLMMP1
SCHEMBL3364435 0.77 RAB9A (0.53) KMT2ACTSKMMP1MMP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516532-B1 Watersoluble coumarin derivatives, their preparation and their use as enzyme substrates or for the preparation of those substrates EUROBIO LAB (FR) 1997-01-15 EP disclosed
US-5342970-A Hydrosoluble coumarin derivatives, their preparation and their use as an enzyme substrate or for the preparation of such substrates LABORATOIRES EUROBIO (FR) 1994-08-30 US disclosed
EP-0516532-A1 Watersoluble coumarin derivatives, their preparation and their use as enzyme substrates or for the preparation of those substrates LABORATOIRES EUROBIO (FR) 1992-12-02 EP disclosed