SCHEMBL8549345

SCHEMBL8549345

O=Cc1ccc(Oc2ccc(Br)c(Oc3ccc(C=O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2A6 P11509 1/20 0.42
TTR P02766 1/20 0.41
ALDH1A3 P47895 2/20 0.39
STS P08842 1/20 0.38
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL2810532 0.85 ALDH1A1 (0.45) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL3962551 0.82 FLT3 (0.41) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL4298894 0.80 ALDH1A1 (0.49) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL8549986 0.79 ALDH1A1 (0.47) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL1663469 0.78 PARP10 (0.65) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL5050902 0.78 PARP10 (0.65) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL16890039 0.77 LTA4H (0.50) ALDH1A1SMN1; SMN2MAPTTSHRKMT2A
SCHEMBL2529019 0.77 PARP10 (0.45) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL260494 0.77 PARP10 (0.55) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL8544104 0.76 ALDH1A1 (0.45) PARP10PARP3ALDH1A1KDM4ELMNA

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