SCHEMBL8551880

SCHEMBL8551880

N#Cc1ccc(Oc2ccc(C=O)cc2)cc1Oc1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
CYP19A1 P11511 1/20 0.52
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ESRRA P11474 2/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2A6 P11509 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL28676047 0.88 AR (0.46) ARCYP19A1PARP10PARP3POLB
SCHEMBL25285812 0.87 CYP19A1 (0.50) ARCYP19A1PARP10PARP3ESRRA
SCHEMBL29965252 0.87 CYP19A1 (0.50) ARCYP19A1PARP10PARP3ESRRA
SCHEMBL4813639 0.86 AR (0.46) ARCYP19A1POLBGAAFNTA
SCHEMBL3696845 0.83 AR (0.51) ARPARP10PARP3ESRRAKDM4E
SCHEMBL4809997 0.83 SLC22A12 (0.47) ARPARP10PARP3POLBESRRA
SCHEMBL3164186 0.82 GAA (0.63) ARPARP10PARP3POLBGAA
SCHEMBL11802368 0.80 CYP19A1 (0.67) ARCYP19A1POLBGAAFNTA
SCHEMBL20934585 0.79 PARP10 (0.45) ARCYP19A1PARP10PARP3ESRRA
SCHEMBL19131768 0.78 TTR (0.47) ARPARP10POLBGAAESRRA

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