SCHEMBL29453897

SCHEMBL29453897

CCOC(=O)c1sc2c(c1C)c(=O)n(CC(=O)O)c(=O)n2CCc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.64
ACACA Q13085 1/20 0.64
ADORA2B P29275 13/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 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
SCHEMBL14936498 1.00 ACACB (0.64) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL21548177 0.92 ACACB (0.65) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14944971 0.91 ACACB (0.66) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL29538711 0.90 ACACB (0.76) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936098 0.90 ACACB (0.76) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936324 0.90 ACACB (0.62) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL29538642 0.89 ACACB (0.64) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936501 0.89 ACACB (0.64) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL14936400 0.89 ACACB (0.64) ACACBACACAADORA2BMEN1KMT2A
SCHEMBL29453870 0.89 ACACB (0.64) ACACBACACAADORA2BMEN1KMT2A

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
CN-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed
EP-3628320-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2022-03-16 EP disclosed