SCHEMBL28964754

SCHEMBL28964754

CCN(CC)CCCNC(CC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.42
PAOX Q6QHF9 1/20 0.40
ECE1 P42892 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NOD1 Q9Y239 1/20 0.33
SLC22A1 O15245 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33

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
SCHEMBL28964751 1.00 HTT (0.48) HTTLMNAALDH1A1PAOXECE1
SCHEMBL4387665 0.94 HTT (0.44) HTTLMNAALDH1A1PAOXECE1
SCHEMBL11148996 0.83 HTT (0.47) HTTLMNAALDH1A1PAOXGAA
SCHEMBL28909304 0.82 ALOX15 (0.47) LMNAECE1ALOX15NOD1ITGB2
SCHEMBL28909305 0.82 ALOX15 (0.47) LMNAECE1ALOX15NOD1ITGB2
SCHEMBL4285748 0.80 NOD1 (0.48) LMNAECE1ALOX15NOD1
Hydrochloric Acid SCHEMBL27552878 0.80 ALOX15 (0.46) LMNAECE1ALOX15NOD1ITGB2
Hydrochloric Acid SCHEMBL27552874 0.80 ALOX15 (0.46) LMNAECE1ALOX15NOD1ITGB2
SCHEMBL4285744 0.80 NOD1 (0.48) LMNAECE1ALOX15NOD1
SCHEMBL4871139 0.80 ECE1 (0.39) ALDH1A1ECE1TSHRITGB2ICAM1

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-107624066-B Method for cosmetic treatment of hair 莱雅公司 2023-01-03 CN disclosed