SCHEMBL7360308

SCHEMBL7360308

COCC(C)Oc1cc(C(=O)O)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 3/20 0.54
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
TTR P02766 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7362237 0.87 PDE4A (0.49) CA12CA1CA2CA4CA6
SCHEMBL7357226 0.87 TSHR (0.46) CA12CA1CA2CA4CA6
SCHEMBL3924278 0.83 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL7351125 0.82 TAS1R3 (0.44) CA12CA1CA2CA4CA6
SCHEMBL7335202 0.81 PDE4A (0.47) CA12CA1CA2CA4CA6
SCHEMBL18691517 0.81 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL18031240 0.81 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL22064771 0.81 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL7355672 0.79 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL4275354 0.79 CA12 (0.67) 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