SCHEMBL15439359

SCHEMBL15439359

CC(C)(C)C1=CC(=NN(Cc2ccccc2)Cc2ccccc2)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CES1 P23141 1/20 0.41
MPI P34949 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
G6PC1 P35575 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
RIPK1 Q13546 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL15439660 0.88 ALDH1A1 (0.41) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15440674 0.85 ALDH1A1 (0.38) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15439615 0.85 ALDH1A1 (0.38) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL9898853 0.76 ALDH1A1 (0.41) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15438805 0.75 CES2 (0.41) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15440572 0.75 ALDH1A1 (0.53) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15440222 0.71 ALDH1A1 (0.49) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL15439767 0.70 ALDH1A1 (0.47) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL22080994 0.68 ALDH1A1 (0.57) ALDH1A1MAPTCES2PKMHPGD
SCHEMBL22080461 0.68 ALDH1A1 (0.57) ALDH1A1MAPTCES2PKMHPGD

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-9115231-B2 Polymers functionalized with protected hydrazone compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2015-08-25 US disclosed
US-20140031488-A1 Polymers Functionalized With Protected Hydrazone Compounds Containing An Acyl Group BRIDGESTONE CORPORATION (JP) 2014-01-30 US disclosed