SCHEMBL17364455

SCHEMBL17364455

NNC(=O)COc1ccc(C2(c3ccc(OCC(=O)NN)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
OPRK1 P41145 1/20 0.45
PDK2 Q15119 3/20 0.44
OGG1 O15527 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40

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
SCHEMBL15426839 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL7595572 0.82 PDK2 (0.58) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL15426834 0.80 MAPK1 (0.39) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL17365295 0.80 KMT2A (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL31571481 0.80 MEN1 (0.60) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL4422333 0.78 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL16425350 0.78 MEN1 (0.42) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL16425349 0.77 MAPT (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL27878252 0.77 ESR1 (0.41) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1272486 0.77 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAKMT2AMEN1

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-2684907-B1 RESIN, OPTICAL MATERIAL, AND OPTICAL DEVICE MITSUI CHEMICALS INC (JP) 2020-02-26 EP disclosed
US-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed
US-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed