SCHEMBL7901147

SCHEMBL7901147

CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALPL P05186 6/20 0.63
HPGDS O60760 2/20 0.63
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.53
ERAP1 Q9NZ08 1/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ACR P10323 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL19533601 0.86 MAPT (0.75) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL4848506 0.86 MEN1 (0.53) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL595997 0.85 ALPL (0.75) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL7911349 0.85 HPGDS (0.53) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL2839464 0.82 HPGDS (0.70) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL2888912 0.82 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL6415504 0.81 HPGDS (0.56) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL19544670 0.80 MAPT (0.66) MAPTNPC1RAB9AL3MBTL1ALPL
SCHEMBL70249 0.80 GABRA1 (0.54) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL4483520 0.79 PPARG (0.53) L3MBTL1ALDH1A1LMNAPPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed