SCHEMBL7362239

SCHEMBL7362239

CCC(OC)Oc1cc(C(=O)O)ccc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 7/20 0.50
PDE4D Q08499 7/20 0.50
TSHR P16473 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL8557563 0.87 CA12 (0.65) TSHRCA12CA1CA2CA4
SCHEMBL1029279 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL2564619 0.82 CA12 (0.71) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL3536547 0.82 CA12 (0.71) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7371299 0.81 TSHR (0.63) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL21079189 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7362652 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7362237 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7367509 0.79 TSHR (0.52) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7351132 0.78 TSHR (0.44) TSHRCA12CA1CA2CA4

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