SCHEMBL28349987

SCHEMBL28349987

COc1ccccc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)O)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 1.00
ACACA Q13085 14/20 0.80

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
SCHEMBL28349988 1.00 ACACB (1.00) ACACBACACA
SCHEMBL28403880 0.92 ACACB (0.85) ACACBACACA
SCHEMBL21905394 0.92 ACACB (1.00) ACACBACACA
SCHEMBL22144554 0.92 ACACB (1.00) ACACBACACA
SCHEMBL14945405 0.91 ACACB (0.84) ACACBACACA
SCHEMBL19348111 0.91 ACACB (0.83) ACACBACACA
SCHEMBL30130074 0.89 ACACB (0.80) ACACBACACA
SCHEMBL14945396 0.89 ACACB (0.80) ACACBACACA
SCHEMBL21816528 0.89 ACACA (1.00) ACACBACACA
SCHEMBL21816478 0.89 ACACA (1.00) ACACBACACA

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-110431143-B Heteroaryl pyrimidone derivatives, and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-12 CN disclosed
CN-110431143-A Heteroaryl hepyramine analog derivative and its preparation method and application ZHEJIANG HISUN PHARM CO LTD 2019-11-08 CN disclosed