SCHEMBL6962422

SCHEMBL6962422

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
MMP3 P08254 11/20 0.54
MMP1 P03956 4/20 0.54
MMP2 P08253 1/20 0.51
CASP3 P42574 2/20 0.51
CTSK P43235 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8708271 1.00 MEN1 (0.60) MEN1KMT2ALMNACTSLCTSB
SCHEMBL7360914 0.95 MEN1 (0.55) MEN1KMT2ALMNACTSLCTSB
SCHEMBL7360919 0.95 MEN1 (0.55) MEN1KMT2ALMNACTSLCTSB
SCHEMBL6968692 0.91 MMP3 (0.56) CTSLCTSSMMP3MMP1MMP2
SCHEMBL6968687 0.91 MMP3 (0.56) CTSLCTSSMMP3MMP1MMP2
SCHEMBL6958535 0.83 MMP3 (0.57) CTSLCTSSMMP3MMP1MMP2
SCHEMBL6961631 0.83 CTSK (0.59) CTSLCTSBCTSSMMP3MMP1
SCHEMBL6961636 0.83 CTSK (0.59) CTSLCTSBCTSSMMP3MMP1
SCHEMBL6958538 0.83 MMP3 (0.57) CTSLCTSSMMP3MMP1MMP2
SCHEMBL7361337 0.83 MMP3 (0.64) MMP3MMP1MMP2

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
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed