SCHEMBL28574458

SCHEMBL28574458

C=CC(=O)OC(C)COc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 3/20 0.38
ACACB O00763 2/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL9854345 0.92 TSHR (0.43) TSHRSMN1; SMN2MAPTNPSR1THRB
SCHEMBL14173246 0.88 ACACB (0.43) TSHRRAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL14173248 0.88 ACACB (0.43) TSHRRAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL13554408 0.88 MAPT (0.43) TSHRSMN1; SMN2MAPTNPSR1THRB
SCHEMBL22588946 0.87 HPGD (0.42) TSHRMAPTALDH1A1THRBACACB
SCHEMBL28432324 0.87 PTGS1 (0.43) TSHRTHRBACACBLMNAGAA
SCHEMBL6986550 0.85 THRB (0.38) TSHRMAPTNPSR1KDM4EALDH1A1
SCHEMBL4200257 0.85 THRB (0.44) TDP1TSHRMAPTNPSR1KDM4E
SCHEMBL181492 0.85 THRB (0.54) TSHRMAPTTHRBLMNACYP2D6
SCHEMBL28440337 0.84 THRB (0.37) TSHRMAPTNPSR1KDM4EALDH1A1

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
CN-109641832-B Azo compounds, polymers, and methods of preparation and use 东莞东阳光医疗智能器件研发有限公司 2021-06-08 CN disclosed