SCHEMBL29039504

SCHEMBL29039504

CC(C)CC(=O)NNC(=O)CN

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.39
HPGD P15428 4/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL29039514 0.82 SMN1; SMN2 (0.39) ALDH1A1GAATDP1PTPN1HPGD
SCHEMBL6151363 0.81 ALDH1A1 (0.40) ALDH1A1TDP1PTPN1HPGDSMN1; SMN2
SCHEMBL7950812 0.80
SCHEMBL15131270 0.79 GLRA1 (0.44) KMT2ACA2LMNA
SCHEMBL5365359 0.78 ALDH1A1 (0.48) ALDH1A1GAATDP1PTPN1HPGD
SCHEMBL21212106 0.77 ALDH1A1 (0.45) ALDH1A1GAATDP1PTPN1HPGD
SCHEMBL29039506 0.76 GAA (0.36) ALDH1A1GAAKMT2ACA2LMNA
SCHEMBL13650702 0.73 ALDH1A1 (0.42) ALDH1A1GAATDP1PTPN1HPGD
SCHEMBL20054118 0.73
SCHEMBL29039512 0.72

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-116462818-A Color-change-resistant antibacterial thermoplastic polyurethane elastomer, preparation method and application thereof 万华化学集团股份有限公司 2023-07-21 CN disclosed