SCHEMBL28536003

SCHEMBL28536003

C=C(C)C(=O)OCCCCNC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.39
ACHE P22303 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 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
SCHEMBL16309323 0.88 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2531723 0.88 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9360748 0.85 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16385235 0.83 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16309328 0.83 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1756100 0.83 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16384917 0.83 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2720550 0.83 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16309326 0.83 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12847611 0.83 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555667-B Two-component polyurethane compositions 陶氏环球技术有限责任公司 2024-07-30 CN disclosed
CN-114207059-B Two-component polyurethane compositions 陶氏环球技术有限责任公司 2023-11-07 CN disclosed
CN-112585226-B Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-11-11 CN disclosed
CN-114555667-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-05-27 CN disclosed
CN-114207059-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2022-03-18 CN disclosed
CN-112585226-A Two-component polyurethane composition 陶氏环球技术有限责任公司 2021-03-30 CN disclosed