SCHEMBL24199938

SCHEMBL24199938

C=CCc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 0.54
BRD4 O60885 3/20 0.45
KDM4A O75164 1/20 0.45
CREBBP Q92793 1/20 0.44
IDO1 P14902 1/20 0.43
NAMPT P43490 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.42
CYP3A4 P08684 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41

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
SCHEMBL694491 0.89 GLS (0.56) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL7865700 0.83 GLS (0.58) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL16181822 0.83 GLS (0.55) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL1165088 0.83 GLS (0.55) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL13981921 0.83 GLS (0.55) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL30069429 0.83 GLS (0.55) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL8342682 0.83 GLS (0.55) GLSBRD4KDM4ACREBBPNAMPT
SCHEMBL10208317 0.82 GLS (0.57) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL3307235 0.82 GLS (0.52) GLSBRD4KDM4ACREBBPIDO1
SCHEMBL7015412 0.82 GLS (0.52) GLSBRD4KDM4ACREBBPIDO1

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-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed