SCHEMBL9509960

SCHEMBL9509960

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.38
▸ GABRR1 P24046 3/20 0.38
▸ GSR P00390 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.34
▸ FOLH1 Q04609 2/20 0.34
▸ BLM P54132 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GABRR3 A8MPY1 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ GABBR2 O75899 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 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
SCHEMBL9509958 1.00 CPB2 (0.38) CPB2GABRR1GSRRNPEPFOLH1
SCHEMBL9506077 0.93 CPB2 (0.42) CPB2GABRR1GSRRNPEPFOLH1
SCHEMBL9506073 0.93 CPB2 (0.42) CPB2GABRR1GSRRNPEPFOLH1
SCHEMBL27996770 0.82 MME (0.31) —
SCHEMBL29712120 0.82 MME (0.31) —
SCHEMBL5261302 0.81 EPHX1 (0.42) BLMTHRBKMT2A
SCHEMBL5261301 0.81 EPHX1 (0.42) BLMTHRBKMT2A
SCHEMBL23042930 0.73 — —
SCHEMBL17224717 0.69 GABRR1 (0.41) CPB2GABRR1GSRRNPEPBLM
Hydrochloric Acid SCHEMBL5653794 0.68 EPHX1 (0.44) CPB2GABRR1GSRRNPEPFOLH1

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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