SCHEMBL29349909

SCHEMBL29349909

COc1c(-c2ccccc2)ccc(O)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.52
FEN1 P39748 1/20 0.52
PDE4B Q07343 6/20 0.50
PDE4A P27815 5/20 0.50
PDE4C Q08493 5/20 0.50
PDE4D Q08499 5/20 0.50
BACE1 P56817 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 1/20 0.40
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1513749 0.83 PDE4B (0.54) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL5549968 0.81 ALOX5AP (0.55) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL28039230 0.78 PDE4B (0.50) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL15167033 0.78 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL9427603 0.77 ALOX5AP (0.48) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL1513817 0.77 BACE1 (0.52) ALOX5APFEN1BACE1ALDH1A1ALOX5
SCHEMBL526920 0.76 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL29431716 0.76 ALDH1A1 (0.56) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL27625888 0.75 PDE4B (0.50) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL29351964 0.75 BACE1 (0.50) PDE4BPDE4APDE4CPDE4DBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 CN disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 CN disclosed