Sugi Predict

Sugi Predict / Compounds / SCHEMBL20220481

SCHEMBL20220481

SCHEMBL20220481

CCOC(O)c1sc2c(c1C)c(=O)n(CC(=O)O)c(=O)n2CC(OC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 12/20 0.47
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14945519 0.86 ACACB (0.43) ADORA2BACACBACACAKMT2A
SCHEMBL14945781 0.85 ADORA2B (0.42) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14945809 0.85 ADORA2B (0.42) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14936354 0.84 ACACB (0.56) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14935875 0.84 ACACB (0.56) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14935877 0.84 ACACB (0.56) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14945774 0.84 ACACB (0.47) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL20053017 0.82 MAPT (0.45) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL21548287 0.82 ADORA2B (0.44) ADORA2BACACBACACAKMT2AMEN1
SCHEMBL14945518 0.79 ACACB (0.45) ADORA2BACACBACACAKMT2A

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
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 — — EP disclosed