SCHEMBL19981453

SCHEMBL19981453

COC(=O)c1ccc(C(=O)OCCN(C)C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HTR2A P28223 1/20 0.45

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
SCHEMBL19442030 0.84 ALDH1A1 (0.50) PHLPP2ALDH1A1GAAMAPK1HSD17B10
SCHEMBL18914738 0.83 HTT (0.58) HTTALDH1A1GAAHPGDTSHR
SCHEMBL19981293 0.83 ALDH1A1 (0.49) HTTPHLPP2ALDH1A1GAAMAPK1
SCHEMBL18104617 0.81 HTT (0.56) HTTALDH1A1GAAMAPK1HPGD
SCHEMBL21401922 0.81 HTT (0.59) HTTALDH1A1HPGDTSHRMAPT
SCHEMBL17693443 0.80 HTT (0.54) HTTALDH1A1GAAHPGDTSHR
SCHEMBL28426282 0.79 TSHR (0.53) HTTALDH1A1MAPK1HSD17B10HPGD
SCHEMBL69791 0.78 HTT (0.69) HTTALDH1A1GAAHPGDTSHR
SCHEMBL8963375 0.78 PHLPP2 (0.73) PHLPP2ALDH1A1GAAMAPK1HSD17B10
SCHEMBL28427399 0.78 HDAC4 (0.65) HTTALDH1A1GAAHSD17B10HPGD

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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