SCHEMBL8550863

SCHEMBL8550863

ONCc1ccc(Oc2ccc(Br)c(Oc3ccc(CNO)cc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.37
IDO1 P14902 1/20 0.37
THRA P10827 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ST14 Q9Y5Y6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HTR2A P28223 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL8546076 0.81 HTR2A (0.43) THRBIDO1HTR2A
SCHEMBL921682 0.79 SRD5A2 (0.47) THRBIDO1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8544536 0.78 HTR2A (0.44) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8545423 0.78 SMN1; SMN2 (0.51) THRBIDO1KDM4EALDH1A1HTT
SCHEMBL8549611 0.77 CYP19A1 (0.49) CACNA1GCACNA1B
SCHEMBL8547422 0.75 F10 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8550162 0.73 F2 (0.50) THRBIDO1ALDH1A1HTTHTR2A
SCHEMBL16890039 0.73 LTA4H (0.50) THRBTHRAALDH1A1SMN1; SMN2MEN1
SCHEMBL2218696 0.73 THRB (0.64) THRBIDO1KDM4EALDH1A1HTT
SCHEMBL27336667 0.72 THRB (0.45) THRBIDO1ALDH1A1SMN1; SMN2MEN1

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