SCHEMBL9066930

SCHEMBL9066930

CCCC(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 3/20 0.46
MME P08473 3/20 0.44
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RRM1 P23921 1/20 0.41
RRM2 P31350 1/20 0.41
RRM2B Q7LG56 1/20 0.41
CAPN1 P07384 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
FOLH1 Q04609 2/20 0.40

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
SCHEMBL8773906 0.89 MME (0.55) MMEMMP9CTSSCTSKCTSL
SCHEMBL8773895 0.83 MME (0.54) MMEMMP3MMP9
SCHEMBL8773904 0.82 MME (0.53) MMEMMP3MMP9
SCHEMBL8773913 0.79 LTA4H (0.49) MMP3CTSSCTSKKMT2A
SCHEMBL7051239 0.77 HDAC1 (0.54) CTSSCTSKMEN1KMT2AFOLH1
SCHEMBL16798232 0.77 HDAC1 (0.54) CTSSCTSKMEN1KMT2AFOLH1
SCHEMBL6448846 0.77 HDAC1 (0.54) CTSSCTSKMEN1KMT2AFOLH1
SCHEMBL3823691 0.76 CTSK (0.60) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7400657 0.75 CYP1A2 (0.48) CTSSCTSK
SCHEMBL31199022 0.75 SLC7A5 (0.42) MMECTSSCTSKCTSLCTSB

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-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed