SCHEMBL7156232

SCHEMBL7156232

CCCCc1nc2cc(C(=O)OC)ccc2n1-c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.49
TLR7 Q9NYK1 12/20 0.46
TLR8 Q9NR97 9/20 0.46

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
SCHEMBL7150527 0.76 LMNA (0.70) ESR1ESR2LMNAMAPK1KDM4E
SCHEMBL4958333 0.76 LMNA (0.73) LMNAMAPK1TLR7
SCHEMBL12707221 0.74 IRAK4 (0.45) KDM4ETLR7TLR8
SCHEMBL6701015 0.73 SIRT2 (0.68) ESR1ESR2LMNAKDM4E
SCHEMBL8433990 0.72 MEN1 (0.42) LMNAMAPK1KDM4ETLR7TLR8
SCHEMBL22160860 0.72 KDM4E (0.52) LMNAKDM4E
SCHEMBL8537440 0.71 ALDH1A1 (0.44) LMNAKDM4ETLR7TLR8
SCHEMBL5117321 0.70 ESR2 (1.00) ESR1ESR2LMNAMAPK1
SCHEMBL25177372 0.70 TLR7 (0.78) TLR7TLR8
SCHEMBL24688398 0.70 KDM4E (0.74) KDM4ETLR7

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-0672031-B1 CATECHOL DIETHERS AS SELECTIVE PDE IV INHIBITORS PFIZER (US) 2003-03-12 EP disclosed
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed