SCHEMBL8128285

SCHEMBL8128285

C=CCOc1cc(O)c(C=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
KAT6A Q92794 5/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
ERN1 O75460 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
PTPN1 P18031 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8128554 0.82 HPGD (0.41) CA12CA1CA2CA7CA9
SCHEMBL8128552 0.82 HPGD (0.41) CA12CA1CA2CA7CA9
SCHEMBL8127465 0.81 HPGD (0.42) CA12CA1CA2CA7CA9
SCHEMBL2323186 0.78 ERN1 (0.45) ERN1MAOBMAPTALDH1A1KMT2A
SCHEMBL7795203 0.75 KAT6A (0.42) CA12CA1CA2CA7CA9
SCHEMBL15348517 0.75 ERN1 (0.66) ERN1HPGDMAPTALDH1A1GAA
SCHEMBL8118733 0.74 KAT6A (0.37) CA12CA1CA2CA7CA9
SCHEMBL26335081 0.73 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL2850824 0.73 ERN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL31166913 0.73 NPC1 (0.52) ERN1MAOBMAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
US-6048893-A Substituted phenyl compounds with a substituent having A 1,3-benzodioxole ring RHONE-POULENC RORER LIMITED (GB) 2000-04-11 US disclosed
CN-1178525-A Substituted phenyl compounds as endothelin antagonists RHONE POULEUC RORER LTD (GB) 1998-04-08 CN disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed