SCHEMBL7335293

SCHEMBL7335293

COc1ccc(CCC(=O)O)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.58
PDE4B Q07343 11/20 0.58
PDE4D Q08499 9/20 0.58
PDE4C Q08493 8/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.52
MAPK14 Q16539 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
SCHEMBL7420826 0.99 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL5348988 0.92 PDE4B (0.56) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL8157358 0.90 HDAC1 (0.56) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL7324348 0.90 PDE4B (0.56) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL7326412 0.88 HDAC1 (0.58) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL2371289 0.86 PDE4B (0.60) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7420231 0.85 HDAC1 (0.53) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL8576115 0.84 PDE4B (0.53) PDE4APDE4BPDE4DPDE4CHDAC1
SCHEMBL31254180 0.84 THRA (0.52) HDAC1HDAC2THRATHRB
SCHEMBL7327718 0.84 HDAC1 (0.59) PDE4APDE4BPDE4DPDE4CHDAC1

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