SCHEMBL7420231

SCHEMBL7420231

COc1ccc(CCC(=O)OC(C)=O)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
PDE4B Q07343 10/20 0.52
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE4D Q08499 7/20 0.50
PDE4A P27815 7/20 0.50
PDE4C Q08493 6/20 0.50
MAPK14 Q16539 1/20 0.49

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
SCHEMBL7326412 0.89 HDAC1 (0.58) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL8157358 0.88 HDAC1 (0.56) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7335293 0.85 PDE4A (0.58) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7324348 0.85 PDE4B (0.56) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7420826 0.84 PDE4A (0.57) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7327718 0.82 HDAC1 (0.59) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7328719 0.81 PDE4B (0.53) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL5348988 0.81 PDE4B (0.56) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL8576115 0.80 PDE4B (0.53) HDAC1HDAC2PDE4BPOLBMEN1
SCHEMBL7335795 0.80 PDE4B (0.52) HDAC1HDAC2PDE4BPOLBMEN1

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