SCHEMBL7365834

SCHEMBL7365834

CCCOc1cccc(-c2ccc(P(=O)(O)O)c(=O)[nH]2)c1OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
PDE5A O76074 14/20 0.39
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
MEN1 O00255 1/20 0.37
PDE2A O00408 1/20 0.37
PDE6D O43924 1/20 0.37
USP2 O75604 1/20 0.37
PDE9A O76083 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7365111 0.89 PDE5A (0.46) PDE5ANPC1POLBPTK2BALDH1A1
SCHEMBL9701443 0.78 ALDH1A1 (0.44) FFAR4PDE5AALDH1A1KDM4EKMT2A
SCHEMBL7365410 0.75 MAPT (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7369809 0.73 NPC1 (0.36) FFAR4NPC1POLBPTK2BALDH1A1
SCHEMBL10040047 0.69 POLB (0.74) NPC1POLBPTK2BALDH1A1RAB9A
SCHEMBL9370220 0.69 PDE5A (0.47) PDE5AALDH1A1KDM4EKMT2APDE4A
SCHEMBL7368255 0.68 KDM4E (0.51) PDE5AALDH1A1KDM4EKMT2APDE4A
SCHEMBL9534290 0.68 KDM4E (0.45) POLBPTK2BKDM4EPDE10A
SCHEMBL149188 0.68 KMT2A (0.48) PDE5AALDH1A1KDM4EKMT2APDE4A
SCHEMBL9376126 0.68 PDE5A (0.45) PDE5AALDH1A1KDM4EKMT2APDE4A

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
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP claimed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO claimed
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed