SCHEMBL8310735

SCHEMBL8310735

O=C1NC(=O)C(Cc2ccc(OC3CCCC(Oc4ccc(CC5OC(=O)NC5=O)cc4)C3)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FURIN P09958 2/20 0.39
GRM2 Q14416 1/20 0.39
HPGD P15428 1/20 0.37
NAAA Q02083 1/20 0.36
ROCK1 Q13464 2/20 0.36
HRH1 P35367 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
HTT P42858 1/20 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
SCHEMBL8312946 0.79 CYP4F2 (0.39) HTT
SCHEMBL8310764 0.76 PARP15 (0.45) GRM2HPGDPARP10HTT
SCHEMBL8310766 0.76 PARP15 (0.45) GRM2HPGDPARP10HTT
SCHEMBL8315754 0.75 FFAR1 (0.48) GRM2DDB1CRBNPARP10HTT
SCHEMBL8314917 0.74 MAPT (0.58) HPGDALDH1A1TSHR
SCHEMBL7217161 0.74 MAPT (0.49) DDB1CRBNALDH1A1TSHR
SCHEMBL8181635 0.74 CA2 (0.41)
SCHEMBL8957454 0.73 FFAR1 (0.38) ALDH1A1HTT
SCHEMBL8189509 0.73 GAA (0.53) NAAAALDH1A1HTT
SCHEMBL12521895 0.73 CTSK (0.46) PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 EP claimed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 EP claimed
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 EP disclosed
US-5508296-A HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 EP disclosed