SCHEMBL8549654

SCHEMBL8549654

O=C(NCc1ccc(Oc2ccccc2Oc2ccc(CNC(=O)NOCc3ccccc3)cc2)cc1)NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.51
PRMT6 Q96LA8 2/20 0.51
HPGD P15428 2/20 0.50
MAPK14 Q16539 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SGMS2 Q8NHU3 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL8547013 0.93 HPGD (0.57) HPGDMAPK14GAAHTTNPC1
SCHEMBL27537790 0.87 NPC1 (0.59) L3MBTL1ALDH1A1GAASGMS2NPC1
SCHEMBL8546499 0.87 HPGD (0.51) HPGDMAPK14ALDH1A1HTTSMN1; SMN2
SCHEMBL8549624 0.85 HPGD (0.49) HPGDMAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL8550262 0.84 NPC1 (0.53) ALDH1A1GAASGMS2NPC1RAB9A
SCHEMBL8546557 0.83 LMNA (0.53) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8549404 0.79 HTR2C (0.49) HPGDL3MBTL1NPC1RAB9ALMNA
SCHEMBL8550343 0.77 HSD17B10 (0.46) HPGDL3MBTL1ALDH1A1LMNA
SCHEMBL1990363 0.75 NPC1 (0.69) L3MBTL1ALDH1A1NPC1RAB9ACA2
SCHEMBL690027 0.75 NPC1 (0.59) ALDH1A1NPC1RAB9ACA2

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-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed