SCHEMBL8424312

SCHEMBL8424312

NC(=O)CC(=O)NCC(O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
BCAT2 O15382 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8421401 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28893763 0.81 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL9232665 0.79 MAPT (0.39) ALDH1A1
SCHEMBL8663853 0.79 LMNA (0.33) ALDH1A1
SCHEMBL8370000 0.79 ASAH1 (0.39) ALDH1A1
SCHEMBL14859908 0.78 CYP2D6 (0.52) ALDH1A1
SCHEMBL538750 0.76
SCHEMBL844192 0.74
SCHEMBL536399 0.72 TGFBR1 (0.37) BCAT2
SCHEMBL17208748 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935558-A FOR PERMANENT WAVING OF HAIR; IMPROVED CURLING, LOW ODOR L'OREAL, SA (FR) 1999-08-10 US claimed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP disclosed