SCHEMBL7063111

SCHEMBL7063111

NC(=O)c1ccc(C(N)=O)c(-c2cccc(O)c2)c1-c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
HSD17B1 P14061 7/20 0.48
HSD17B2 P37059 7/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 3/20 0.48
IKBKB O14920 2/20 0.48
HPGDS O60760 2/20 0.44
AKR1C3 P42330 1/20 0.43
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GRIA2 P42262 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
BCAT2 O15382 1/20 0.41
DUSP3 P51452 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41

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
SCHEMBL169868 0.88 IKBKB (0.47) PARP1IKBKBMKNK1MKNK2BCAT2
SCHEMBL29374101 0.88 IKBKB (0.47) PARP1IKBKBMKNK1MKNK2BCAT2
SCHEMBL27919911 0.81 MAP4K4 (0.50) PARP1HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL8949874 0.81 DHODH (0.46) CYP2C9IKBKBCYP1A2CYP2D6CYP2C19
Urea SCHEMBL28406941 0.79 HSD17B1 (0.68) PARP1HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL1789847 0.78 BCAT2 (0.67) PARP1HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4151580 0.77 BCAT2 (0.59) PARP1CYP3A4IKBKBCYP2C19BCAT2
SCHEMBL17292699 0.77 BRD4 (0.51) PARP1MKNK1MKNK2ALDH1A1
SCHEMBL7064896 0.75 ESR1 (0.43) PARP1HSD17B1ESR1ESR2ALDH1A1
SCHEMBL10701680 0.75 CHEK1 (0.47) HSD17B1IKBKBALDH1A1

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