SCHEMBL8408486

SCHEMBL8408486

CCc1ccccc1-c1cc(C(=O)OC)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
XDH P47989 1/20 0.54
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 2/20 0.49
ALOX12 P18054 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL410169 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8409452 0.87 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8797195 0.83 TTR (0.49) CA12CA1CA2CA7CA9
SCHEMBL8408042 0.83 PKM (0.51) HPGDALDH1A1ALOX15LMNAMEN1
SCHEMBL22524405 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL410064 0.81 PDK2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL8230251 0.79 CA1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL410249 0.79 CREBBP (0.46) HPGDTP53HSD17B10LMNAMAPT
SCHEMBL14832104 0.78 EGFR (0.68) CA12CA1CA2CA7CA9
SCHEMBL536675 0.78 NOTUM (0.51) ALDH1A1HSD17B10LMNAKDM4EHTT

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed