SCHEMBL8533829

SCHEMBL8533829

CC(=O)O[C@H]1[C@@H](C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
MMP2 P08253 10/20 0.45
MMP9 P14780 9/20 0.45
ADAMTS4 O75173 1/20 0.45
F10 P00742 2/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
POLB P06746 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 1/20 0.42
PLG P00747 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL7449163 0.86 F2 (0.48) F10POLBPLG
SCHEMBL8086169 0.79 GNPAT (0.44) ALDH1A1
SCHEMBL31086837 0.77 ALDH1A1 (1.00) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL7436890 0.75 ALPI (0.44)
SCHEMBL7451264 0.75 FAAH (0.43) ALDH1A1
SCHEMBL8089807 0.75 CTSK (0.54) ALDH1A1
SCHEMBL7441597 0.75 CTSK (0.54) ALDH1A1
SCHEMBL8533828 0.74 ALDH1A1 (0.61) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL7438536 0.73 NOS2 (0.48) ALDH1A1MAPTCYP3A4
SCHEMBL31086912 0.72 ALDH1A1 (0.80) ALDH1A1MAPTMMP2MMP9ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed