SCHEMBL8654153

SCHEMBL8654153

CC(C)CCNS(=O)(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 6/20 0.38
CA12 O43570 5/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
ADAMTS4 O75173 1/20 0.36
HTT P42858 2/20 0.35
ANPEP P15144 2/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CA2 P00918 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3204936 0.77 CA12 (0.40) CA14CA12CA7CA9HTT
SCHEMBL27412101 0.73 CA12 (0.40) CA14CA12CA7CA9HTT
SCHEMBL13585410 0.71 PMP22 (0.44) KMT2ABLMSLC7A5
SCHEMBL13585408 0.71 PMP22 (0.44) KMT2ABLMSLC7A5
SCHEMBL14930545 0.71 ALDH1A1 (0.46) ANPEPRNPEPDNPEPNPC1RAB9A
SCHEMBL19930276 0.71 ALDH1A1 (0.46) ANPEPRNPEPDNPEPNPC1RAB9A
SCHEMBL27000228 0.69 NR1H4 (0.36) CA14CA12CA7CA9HTT
SCHEMBL1300241 0.69 GRIA1 (0.39) CA14CA12CA7CA9HTT
SCHEMBL5787485 0.68 TAS2R14 (0.40) CA12CA9ADAMTS4HTTMMP1
SCHEMBL27183432 0.67 GRIA1 (0.38) CA14CA12CA7CA9HTT

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
US-5756498-A Sulfonylalkanoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-05-26 US claimed
US-5756498-A Sulfonylalkanoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-05-26 US disclosed