SCHEMBL8993352

SCHEMBL8993352

C=CC(=O)OCCN(C)C(=O)c1ccccc1C(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.35
PLK1 P53350 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LIG1 P18858 1/20 0.34
MAPT P10636 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL8548206 0.91 THRB (0.49) THRBALDH1A1LMNATSHRHPGD
SCHEMBL8550438 0.75 TP53 (0.49) THRBALDH1A1LMNATSHRHPGD
SCHEMBL8547550 0.74 TP53 (0.64) THRBALDH1A1LMNATSHRHPGD
SCHEMBL9854446 0.73 THRB (0.54) THRBALDH1A1TSHRHPGDHDAC3
SCHEMBL600753 0.70 THRB (0.51) THRBGAAALDH1A1LMNATSHR
SCHEMBL19865605 0.70 ALDH1A1 (0.38) GAAALDH1A1LMNAHPGDHDAC3
SCHEMBL9174872 0.69 THRB (0.57) THRBALDH1A1LMNATSHRHPGD
SCHEMBL8982453 0.68 TSHR (0.50) THRBGAAALDH1A1TSHRHPGD
SCHEMBL17522081 0.68 TSHR (0.50) THRBALDH1A1TSHRHPGDTP53
SCHEMBL17211582 0.68 TSHR (0.50) THRBALDH1A1LMNATSHRHPGD

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
EP-0724503-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-07 EP disclosed
WO-1995011774-A1 ABRASIVE ARTICLES INCORPORATING ADDITION POLYMERIZABLE RESINS AND REACTIVE DILUENTS, AND METHODS OF MAKING SAID ABRASIVE ARTICLES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-04 WO disclosed