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Sugi Predict / Compounds / SCHEMBL20220545

SCHEMBL20220545

SCHEMBL20220545

Cc1c(-c2ncco2)sc2c1c(=O)n(C(C)(C)C(=O)OC(C)(C)C)c(=O)n2C[C@@H](OCC(F)(F)F)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 20/20 0.63
▸ ACACB O00763 12/20 0.63

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
SCHEMBL14945161 1.00 ACACA (0.63) ACACAACACB
SCHEMBL14945286 0.94 ACACA (0.64) ACACAACACB
SCHEMBL14945158 0.93 ACACA (0.63) ACACAACACB
SCHEMBL14936294 0.93 ACACA (0.63) ACACAACACB
SCHEMBL14936861 0.93 ACACA (0.63) ACACAACACB
SCHEMBL16920262 0.92 ACACA (0.58) ACACAACACB
SCHEMBL14945276 0.91 ACACA (0.64) ACACAACACB
SCHEMBL14945281 0.91 ACACA (0.64) ACACAACACB
SCHEMBL14945222 0.91 ACACA (0.64) ACACAACACB
SCHEMBL14945153 0.91 ACACA (0.64) ACACAACACB

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