SCHEMBL7063113

SCHEMBL7063113

NC(=O)c1ccc(C(=O)N(c2cccc(O)c2)c2cccc(O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.55
ESR1 P03372 5/20 0.43
ESR2 Q92731 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.40
PARP10 Q53GL7 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
TNKS2 Q9H2K2 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
SCHEMBL2112355 0.85 ESR1 (0.59) PARP1ESR1ESR2ALDH1A1TSHR
SCHEMBL29251036 0.83 PARP10 (0.40) PARP1ESR1ESR2ALDH1A1TSHR
SCHEMBL2111092 0.83 ESR1 (0.60) ESR1ESR2ALDH1A1TSHRCYP3A4
SCHEMBL2113067 0.83 ESR1 (0.51) PARP1ESR1ESR2ALDH1A1TSHR
SCHEMBL17292700 0.81 PARP1 (0.42) PARP1ALDH1A1TSHRCYP3A4PARP10
SCHEMBL5076006 0.80 POLB (0.58) PARP1ESR1ESR2ALDH1A1TSHR
SCHEMBL7064897 0.79 ESR1 (0.58) PARP1ESR1ESR2ALDH1A1TSHR
SCHEMBL11804404 0.78 ALDH1A1 (0.52) PARP1ALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL18063674 0.77 PARP1 (0.55) PARP1ESR1ESR2TSHRCYP3A4
SCHEMBL28629411 0.76 PARP1 (0.42) PARP1ESR1ESR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608163-B2 From bisphenol A and a hydroxyphenyl-substituted terephthalimide; improved resistance to dilute caustic solution; use in automatic dishwater parts GENERAL ELECTRIC COMPANY 2003-08-19 US claimed
US-6608163-B2 From bisphenol A and a hydroxyphenyl-substituted terephthalimide; improved resistance to dilute caustic solution; use in automatic dishwater parts GENERAL ELECTRIC COMPANY 2003-08-19 US disclosed