SCHEMBL7356169

SCHEMBL7356169

COc1ccc(C(=O)O)cc1OCC1CCC=CO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TSHR P16473 2/20 0.48
PDE4B Q07343 8/20 0.46
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
HTT P42858 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7354089 0.89 PDE4B (0.45) TSHRPDE4BPDE4APDE4CPDE4D
SCHEMBL9068671 0.82 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL7354815 0.81 ALDH1A1 (0.49) TSHRPDE4BPDE4APDE4CPDE4D
SCHEMBL20267140 0.80 PKM (0.43) TSHRMAPK1RAB9A
SCHEMBL8555091 0.80 NPC1 (0.53) CA12CA1CA2CA4CA6
SCHEMBL30575456 0.79 CA12 (0.63) CA12CA1CA2CA4CA6
SCHEMBL1031663 0.79 CA12 (0.63) CA12CA1CA2CA4CA6
SCHEMBL7353387 0.79 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7389578 0.77 PDE4B (0.60) CA12CA1CA2CA4CA6
SCHEMBL12508471 0.76 PDE4B (0.58) CA12CA1CA2CA4CA6

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
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed