SCHEMBL7420229

SCHEMBL7420229

COc1ccc(CC(C(C)=O)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
PDE4A P27815 11/20 0.56
TPH1 P17752 1/20 0.53
PDE4B Q07343 9/20 0.53
PDE4D Q08499 7/20 0.53
PDE4C Q08493 6/20 0.53
MAPK14 Q16539 1/20 0.53
RECQL P46063 1/20 0.50

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
SCHEMBL7422501 0.89 PDE4B (0.52) LDHAPDE4ATPH1PDE4BPDE4D
SCHEMBL10879303 0.84 LDHA (0.84) LDHA
SCHEMBL2371289 0.81 PDE4B (0.60) PDE4APDE4BPDE4DPDE4CMAPK14
Bicarbonate SCHEMBL7091204 0.80 CSNK2A1 (0.58) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL5345025 0.79 PDE4A (0.54) PDE4ATPH1PDE4BPDE4DPDE4C
SCHEMBL5345029 0.79 PDE4A (0.54) PDE4ATPH1PDE4BPDE4DPDE4C
SCHEMBL7335293 0.79 PDE4A (0.58) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL8157358 0.79 HDAC1 (0.56) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL20721728 0.78 LDHA (0.78) LDHA
SCHEMBL27558495 0.78 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248769-B1 ANTIINFLAMMATORY AGENT EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed
US-6103749-A PHENYL IMIDAZOLE COMPOUNDS USEFUL FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION AND DEPRESSION EURO-CELTIQUE S.A. (LU) 2000-08-15 US disclosed
EP-0766676-A4 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO CELTIQUE SA (LU) 1998-07-08 EP disclosed
EP-0766676-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV Euroceltique S.A. (LU) 1997-04-09 EP disclosed
WO-1996000218-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-01-04 WO disclosed