SCHEMBL8127802

SCHEMBL8127802

C=CCOc1cc(O)c(C=NO)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL8127796 1.00 HPGD (0.46) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8128552 0.82 HPGD (0.41) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8128554 0.82 HPGD (0.41) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8127465 0.82 HPGD (0.42) HPGDALDH1A1MAPTGAATSHR
SCHEMBL2673110 0.73 CA12 (0.42) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL2673108 0.73 CA12 (0.42) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8128077 0.73 HPGD (0.65) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8128073 0.73 HPGD (0.65) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL8120518 0.72 HPGD (0.41) HPGDHSD17B10ALDH1A1MAPTGAA
SCHEMBL20382459 0.71 HPGD (0.52) HPGDHSD17B10ALDH1A1MAPTGAA

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