SCHEMBL6950472

SCHEMBL6950472

CC(C)C[C@H](NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ECE1 P42892 2/20 0.51
NMBR P28336 4/20 0.49
TACR1 P25103 1/20 0.49
TACR3 P29371 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.45
MMP2 P08253 5/20 0.45

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
SCHEMBL6951435 0.90 MEN1 (0.58) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL6946893 0.90 MEN1 (0.50) MAPTNMBRTACR1MEN1KMT2A
SCHEMBL6947006 0.89 MAPT (0.48) MAPTTDP1NMBRTACR1TACR3
SCHEMBL8387115 0.87 ECE1 (0.67) ECE1ERAP2ERAP1
SCHEMBL7432650 0.86 ECE1 (0.56) ECE1MMP2MMP8MMP1MMP9
SCHEMBL7383963 0.86 ECE1 (0.56) ECE1MMP2MMP8MMP1MMP9
SCHEMBL6413187 0.86 ECE1 (0.56) ECE1MMP2MMP8MMP1MMP9
SCHEMBL6956557 0.84 MMP9 (0.58) RAB9AMMP2MMP8MMP1ANPEP
SCHEMBL6946905 0.80 HSD17B10 (0.45) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL6953223 0.80 MMP3 (0.63) GAAALDH1A1MMP2MMP8MMP1

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-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-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