SCHEMBL8545768

SCHEMBL8545768

O=Cc1ccc(Oc2cc(F)cc(Oc3ccc(C=O)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2A6 P11509 1/20 0.47
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
DRD1 P21728 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A3 P47895 1/20 0.42
STS P08842 1/20 0.41
MAPT P10636 1/20 0.40
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38
TTR P02766 1/20 0.38
VEGFA P15692 1/20 0.37

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
SCHEMBL6142802 0.96 PARP10 (0.50) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL17521456 0.88 ALDH1A1 (0.46) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL184204 0.85 ALDH1A1 (0.62) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL6741260 0.83 MAOA (0.49) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL1663469 0.82 PARP10 (0.65) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL5050902 0.82 PARP10 (0.65) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL17508183 0.82 PARP10 (0.49) PARP10PARP3ALDH1A1L3MBTL1KDM4E
Fluoromethane SCHEMBL28219755 0.81 ALDH1A1 (0.62) PARP10PARP3ALDH1A1L3MBTL1KDM4E
SCHEMBL8547518 0.80 HSD17B10 (0.52) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL8547510 0.80 ALDH1A1 (0.53) 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