SCHEMBL16880996

SCHEMBL16880996

COC(=O)c1cncc(Cc2ccc([C@H](C)NC(C)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.50
▸ ACACA Q13085 5/20 0.50
▸ ATM Q13315 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
SCHEMBL16881233 1.00 ACACB (0.50) ACACBACACAATM
SCHEMBL16880995 1.00 ACACB (0.50) ACACBACACAATM
SCHEMBL16881383 0.88 ACACB (0.52) ACACBACACA
SCHEMBL16881055 0.88 ACACB (0.52) ACACBACACA
SCHEMBL16891533 0.87 ACACB (0.48) ACACBACACA
SCHEMBL16881389 0.83 ATM (0.44) ATM
SCHEMBL16880649 0.80 KMT2A (0.47) ATM
SCHEMBL30675668 0.78 ATM (0.50) ATM
SCHEMBL26961945 0.78 ATM (0.50) ATM
SCHEMBL16881118 0.78 LOXL2 (0.59) ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 — — CN disclosed
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 — — EP disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 — — CN disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
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