SCHEMBL6946905

SCHEMBL6946905

CC(C)C[C@H](NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
MMP9 P14780 4/20 0.44
MMP1 P03956 3/20 0.44
MMP3 P08254 7/20 0.44
MMP2 P08253 5/20 0.43
NPY1R P25929 1/20 0.43
MMP8 P22894 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL6956564 0.89 KDM4E (0.43) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL6956557 0.87 MMP9 (0.58) MMP9MMP1MMP3MMP2MMP8
SCHEMBL7384509 0.86 MME (0.45) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL6419064 0.85 MMP3 (0.46) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL6951780 0.82 MMP3 (0.46) HSD17B10MMP9MMP1MMP3MMP2
SCHEMBL6953223 0.81 MMP3 (0.63) MMP9MMP1MMP3MMP2MMP8
SCHEMBL6953525 0.80 MME (0.57) MMP9MMP1MMP3MMP2
SCHEMBL6950472 0.80 MAPT (0.52) HSD17B10KDM4ECYP3A4MMP9MMP1
SCHEMBL8651860 0.78 MMP3 (0.54) KDM4EMMP9MMP1MMP3MMP2
SCHEMBL8385864 0.77 MMP3 (0.42) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed
EP-0824544-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-02-25 EP claimed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO claimed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP disclosed
US-5994293-A Peptidyl compounds and their therapeutic use DARWIN DISCOVERY LTD. (GB) 1999-11-30 US disclosed