SCHEMBL10468445

SCHEMBL10468445

COc1ccc(COC(=O)CCC(=O)OCC/C(=C2\C(=O)N3C(C(=O)O)=CS[C@H]23)c2c[nH]nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
MEN1 O00255 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL9504886 0.83 SLC6A11 (0.38) ALDH1A1KMT2ACASP3SENP8SENP7
SCHEMBL9324400 0.82
SCHEMBL9324438 0.77
Water SCHEMBL9326433 0.77
SCHEMBL8806239 0.71
SCHEMBL3549920 0.71
Water SCHEMBL10643662 0.70
SCHEMBL9663763 0.67 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL8809346 0.66 MMP9 (0.43) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL10467064 0.65 ALDH1A1 (0.35) ALDH1A1

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-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US disclosed