SCHEMBL7945633

SCHEMBL7945633

COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)OC(C)(C)C)CC(OC)C3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
FTO Q9C0B1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL7952298 0.89 UCHL1 (0.34) UCHL1USP30FTOHDAC1HDAC6
SCHEMBL7954292 0.79 ADH1A (0.32) HDAC1HDAC6
SCHEMBL7945637 0.74 UCHL1 (0.34) UCHL1USP30HDAC1HDAC6
SCHEMBL6618596 0.69 ADH1A (0.46) FTOGLAGAA
SCHEMBL6205393 0.69 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL6852340 0.69 ADH1A (0.44)
SCHEMBL3491372 0.68 HDAC1 (0.42) UCHL1USP30HDAC1HDAC6GAA
SCHEMBL6206095 0.67 XDH (0.40) UCHL1USP30HDAC1HDAC6
SCHEMBL25507490 0.66 HDAC1 (0.42) UCHL1USP30HDAC1HDAC6
SCHEMBL16568925 0.65 ADH1A (0.40) USP30HDAC1HDAC6

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-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed