SCHEMBL29100294

SCHEMBL29100294

CCC=CC(N)=O.CCC=CC(N)=O.NCCCCCCCCCN

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.41
DNM1 Q05193 8/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC6A5 Q9Y345 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29100289 1.00 PAOX (0.41) PAOXDNM1ALDH1A1MEN1KMT2A
SCHEMBL29100318 1.00 PAOX (0.41) PAOXDNM1ALDH1A1MEN1KMT2A
SCHEMBL29100311 1.00 PAOX (0.41) PAOXDNM1ALDH1A1MEN1KMT2A
SCHEMBL30619209 0.86 TRPA1 (0.35) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL254292 0.86
SCHEMBL29098358 0.86 TRPA1 (0.35) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL944423 0.86 TRPA1 (0.35) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL400439 0.86
SCHEMBL5216645 0.86
SCHEMBL29100265 0.77 PAOX (0.44) PAOXDNM1ALDH1A1MEN1KMT2A

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