SCHEMBL29537837

SCHEMBL29537837

CCOC(=O)c1sc2c(c1C)c(=O)n(C(C)(C)C(=O)O)c(=O)n2CCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.58
ACACB O00763 1/20 0.58
ADORA2B P29275 11/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14935921 1.00 ACACA (0.58) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL14936770 0.93 ACACA (0.60) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL29538237 0.93 ACACA (0.60) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL16920244 0.92 ACACA (0.59) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL29538158 0.90 ADORA2B (0.57) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL14936574 0.90 ADORA2B (0.57) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL14935930 0.89 ACACB (0.73) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL20220649 0.88 ACACA (0.55) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL14936094 0.87 ACACA (0.54) ACACAACACBADORA2BMEN1KMT2A
SCHEMBL29538550 0.87 ACACA (0.54) ACACAACACBADORA2BMEN1KMT2A

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
CN-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed