SCHEMBL23964774

SCHEMBL23964774

CCC(C)CCCCCC(CCCC(C)CC)C(=O)OCC(CC)(COCC1CO1)COCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28545932 0.83 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2
SCHEMBL23306979 0.79 TSHR (0.40) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL12697220 0.77 TSHR (0.41) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL24554489 0.74 TSHR (0.40) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL21572932 0.74 TSHR (0.36) TSHRMAPK1
SCHEMBL24085995 0.74 TSHR (0.47) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23306977 0.73 TSHR (0.41) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
Bicarbonate SCHEMBL17599133 0.73 TSHR (0.53) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL12697180 0.72 TSHR (0.41) TSHRMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL21650711 0.72 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2

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
US-11156918-B2 Photosensitive composition, cured film and organic el display device TORAY INDUSTRIES, INC. (JP) 2021-10-26 US disclosed