SCHEMBL9506077

SCHEMBL9506077

C[C@H](NSCCCCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 5/20 0.42
▸ GSR P00390 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAOX Q6QHF9 3/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ GABRR1 P24046 2/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ BLM P54132 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
SCHEMBL9506073 1.00 CPB2 (0.42) CPB2GSRMEN1ALDH1A1PLG
SCHEMBL9509958 0.93 CPB2 (0.38) CPB2GSRLMNATHRBKMT2A
SCHEMBL9509960 0.93 CPB2 (0.38) CPB2GSRLMNATHRBKMT2A
SCHEMBL5261302 0.81 EPHX1 (0.42) MEN1THRBKMT2AEPHX1BLM
SCHEMBL5261301 0.81 EPHX1 (0.42) MEN1THRBKMT2AEPHX1BLM
SCHEMBL29712120 0.79 MME (0.31) —
SCHEMBL27996770 0.79 MME (0.31) —
SCHEMBL18045559 0.72 PAOX (0.48) CPB2GSRMEN1ALDH1A1PLG
SCHEMBL6037081 0.71 FOLH1 (0.54) CPB2GSRMEN1ALDH1A1PLG
SCHEMBL11703090 0.71 LMNA (0.52) CPB2GSRMEN1ALDH1A1PLG

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
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 — — EP claimed
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