SCHEMBL28537147

SCHEMBL28537147

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
AR P10275 1/20 0.40
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
APP P05067 2/20 0.36
ACACB O00763 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL28538695 0.87 TDP1 (0.45) TDP1TSHRCYP2C9ARPOLB
SCHEMBL28729088 0.86 MTNR1A (0.46) TDP1ARPOLBAPEX1HTT
SCHEMBL19944240 0.84 CYP2C9 (0.53) TDP1TSHRCYP2C9ARPOLB
SCHEMBL13383397 0.84 MAPT (0.46) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL19944334 0.83 LMNA (0.46) TDP1ARPOLBAPEX1HTT
SCHEMBL19944374 0.83 ADRB2 (0.48) TDP1ARPOLBAPEX1HTT
SCHEMBL19944479 0.82 POLB (0.48) TDP1TSHRPOLBAPEX1HTT
SCHEMBL28573827 0.82 TDP1 (0.43) TDP1TSHRPOLBAPEX1HTT
SCHEMBL28739745 0.81 AR (0.37) TDP1TSHRCYP2C9ARPOLB
SCHEMBL28538749 0.81 TSHR (0.40) TDP1TSHRCYP2C9ARPOLB

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
CN-109641855-B Azo compounds, polymers, and processes for their preparation and use 东莞东阳光医疗智能器件研发有限公司 2022-04-29 CN disclosed
CN-110382628-B Polymerizable dye compound, preparation method, polymer containing dye and application 东莞东阳光医疗智能器件研发有限公司 2021-03-02 CN disclosed