SCHEMBL30009845

SCHEMBL30009845

COc1ccc(C(=O)O)cc1OC1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.80
PDE4D Q08499 11/20 0.80
PDE4A P27815 11/20 0.80
PDE4C Q08493 10/20 0.80
MAPK14 Q16539 1/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
KMT2A Q03164 1/20 0.62

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
SCHEMBL1028427 1.00 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
Hydrochloric Acid SCHEMBL6586041 0.98 PDE4B (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL9005494 0.98 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7336609 0.98 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6799815 0.94 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL28846183 0.94 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL16544966 0.91 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL27472680 0.89 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7444846 0.89 PDE4A (1.00) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL128167 0.88 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMAPK14

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
WO-2022237798-A1 BENZOYLGUANIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 青岛海洋生物医药研究院 2022-11-17 WO disclosed