SCHEMBL7416624

SCHEMBL7416624

CCc1ccc(C(=O)O)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.54
PDE4A P27815 10/20 0.54
PDE4D Q08499 10/20 0.54
PDE4C Q08493 9/20 0.54
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.45
EPHX2 P34913 2/20 0.45

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
SCHEMBL26451878 0.99 PDE4B (0.53) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL26034711 0.94 TSHR (0.49) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL16077695 0.88 PDE4B (0.51) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL7420388 0.87 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL27806919 0.85 PDE4D (0.47) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7420849 0.82 PDE4B (0.57) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL8237277 0.82 CREBBP (0.45) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL23792952 0.81 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL6799815 0.81 PDE4B (0.71) PDE4BPDE4APDE4DPDE4CKMT2A
SCHEMBL18031290 0.81 PDE4B (0.43) PDE4BPDE4APDE4DPDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed