SCHEMBL7582450

SCHEMBL7582450

COc1ccc(C(=O)c2c(C)cc(C)cc2C)cc1Cc1ccc(=O)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35

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
SCHEMBL7584819 0.89 ADRB2 (0.39) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7583504 0.89 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7590521 0.84 HPGD (0.48) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL7585660 0.84 ADRB2 (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7583126 0.80 ADRB2 (0.39) POLBHTTCYP3A4TSHRHPGD
SCHEMBL7586348 0.79 PYGL (0.41) PKMCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8504696 0.78 PKM (0.36) SMN1; SMN2POLBHTTPKMCYP3A4
SCHEMBL7276846 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL7274487 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5367001 0.76 MAPT (0.45) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810218-B1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) HOFFMANN LA ROCHE (CH) 2002-12-04 EP disclosed
EP-0810218-A1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) F. HOFFMANN-LA ROCHE AG (CH) 1997-12-03 EP disclosed