SCHEMBL7332247

SCHEMBL7332247

COC(=O)CCCCCCCCc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.52
PDE4A P27815 8/20 0.52
PDE4C Q08493 8/20 0.52
PDE4D Q08499 8/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.47

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
SCHEMBL7335795 1.00 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7328719 0.99 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7326412 0.90 HDAC1 (0.58) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL5348988 0.84 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7332617 0.83 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL8157358 0.82 HDAC1 (0.56) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7324348 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7335293 0.82 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL7324583 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7324666 0.81 RECQL (0.58) PDE4BPDE4APDE4CPDE4DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US claimed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-4971959-A Trisubstituted phenyl analogs having activity for congestive heart failure WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed