SCHEMBL29100282

SCHEMBL29100282

C=C(C)C(=O)NCCCCCCCOC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
THRB P10828 1/20 0.49
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 13/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL29100295 1.00 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16309328 0.95 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25298348 0.94 TSHR (0.73) TSHRTHRBACHE
SCHEMBL28459056 0.94 TSHR (0.73) TSHRTHRBACHE
SCHEMBL16803336 0.93 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9421249 0.93 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4983337 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4977289 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16806093 0.91 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4980959 0.90 TSHR (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924912-A Molecule for improving hair toughness and application thereof 江南大学 2023-10-24 CN claimed
CN-116924912-A Molecule for improving hair toughness and application thereof 江南大学 2023-10-24 CN disclosed