SCHEMBL19981293

SCHEMBL19981293

COC(=O)Cc1ccc(C(=O)OCCN(C)C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ GRK6 P43250 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TLR6 Q9Y2C9 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL19981453 0.83 HTT (0.51) ALDH1A1GAAHTTPHLPP2TSHR
SCHEMBL2707440 0.81 HTT (0.71) ALDH1A1HTTTSHRMAPTKDM4E
SCHEMBL19442030 0.77 ALDH1A1 (0.50) ALDH1A1GAAPHLPP2MAPTKDM4E
SCHEMBL10209863 0.75 HTT (0.51) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL2875402 0.75 TDP1 (0.56) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL17581887 0.74 HSP90AB1 (0.50) ALDH1A1GAAHTTTSHRMAPT
SCHEMBL1811609 0.70 HTT (0.69) ALDH1A1HTTTSHRMAPTKDM4E
SCHEMBL11110357 0.70 HTT (0.69) ALDH1A1HTTTSHRMAPTKDM4E
SCHEMBL12315757 0.70 ALDH1A1 (0.67) ALDH1A1GAATSHRKDM4EPOLB
SCHEMBL991408 0.68 MEN1 (0.63) ALDH1A1PHLPP2TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018053372-A1 POLYMERS AND METHODS OF PRODUCING THEREOF MICROMIDAS, INC. (US) 2018-03-22 — — WO disclosed
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