SCHEMBL20053003

SCHEMBL20053003

CCOC(O)c1sc2c(c1C)c(=O)n(C(C)C(=O)O)c(=O)n2CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.54
ACACB O00763 1/20 0.53
ACACA Q13085 1/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL20220430 1.00 ADORA2B (0.54) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20651073 0.90 ACACB (0.51) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14935929 0.84 ACACB (0.72) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14936154 0.84 ACACB (0.72) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14936544 0.84 ACACB (0.72) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL20651003 0.77 ADORA2B (0.56) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL21850054 0.77 ADORA2B (0.70) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14936372 0.77 ACACB (0.69) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL14945656 0.75 ACACB (0.66) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL21850065 0.74 ADORA2B (0.66) ADORA2BACACBACACAMEN1KMT2A

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed