SCHEMBL29204178

SCHEMBL29204178

CCC(C=O)SC(C=O)CC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1299901 0.79
SCHEMBL4432489 0.77
SCHEMBL29204179 0.77 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL30849013 0.75 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1
SCHEMBL11282759 0.73
SCHEMBL11476089 0.71 EPHX1 (0.44) TSHRSMN1; SMN2ALDH1A1
SCHEMBL29191467 0.71 EPHX1 (0.44) TSHRSMN1; SMN2ALDH1A1
SCHEMBL16923923 0.69
SCHEMBL28583631 0.66
SCHEMBL21905153 0.63 ADH1B (0.44) TSHRSMN1; 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
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed