SCHEMBL28874573

SCHEMBL28874573

C=C(C)C(=O)OCC(NC(C)=O)NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 3/20 0.43
THRB P10828 2/20 0.41
TGFBR1 P36897 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL2003087 0.86 TSHR (0.57) TSHRALDH1A1THRBTGFBR1POLB
SCHEMBL13595153 0.82 TSHR (0.62) TSHRALDH1A1THRBMTNR1AMTNR1B
SCHEMBL150581 0.82 TSHR (0.61) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL12803643 0.78 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2504502 0.78 TSHR (0.57) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL28461125 0.78 TSHR (0.47) TSHRALDH1A1THRBTGFBR1
SCHEMBL9303535 0.77 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL147268 0.76 TSHR (0.71) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL9303675 0.76 TSHR (0.59) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL11596898 0.75 TSHR (0.63) TSHRALDH1A1THRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022138851-A1 WATER-REPELLENT ORGANIC FINE PARTICLES HAVING EFFECT OF IMPROVING WATER PRESSURE RESISTANCE ダイキン工業株式会社 2022-06-30 WO disclosed
CN-109825893-A The preparation method of colour polyurethane urea elastomer 泰光产业株式会社 2019-05-31 CN disclosed
CN-109825894-A The preparation method of chlorine resistance black polyurethane urea elastomer 泰光产业株式会社 2019-05-31 CN disclosed