SCHEMBL9506058

SCHEMBL9506058

NCCCC(=O)NCCCSSCCCNC(=O)CCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
TSHR P16473 2/20 0.41
PAOX Q6QHF9 2/20 0.39
KDM4A O75164 1/20 0.39
HIF1A Q16665 1/20 0.39
TET2 Q6N021 1/20 0.39
DOHH Q9BU89 1/20 0.39
CASP2 P42575 1/20 0.38
LMNA P02545 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL9508405 0.92 SLC6A5 (0.50) SLC6A5CA1CA2TSHRPAOX
SCHEMBL9508397 0.90 CASP2 (0.39) SLC6A5CA1CA2TSHRPAOX
SCHEMBL9505929 0.90 CA1 (0.43) SLC6A5CA1CA2TSHRPAOX
SCHEMBL24761185 0.85 SLC6A5 (0.51) SLC6A5CA1CA2TSHRPAOX
SCHEMBL14459970 0.83 SLC6A5 (0.59) SLC6A5CA1CA2TSHRPAOX
SCHEMBL9506124 0.82 SLC6A5 (0.51) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL9506141 0.82 CASP2 (0.46) SLC6A5TSHRPAOXKDM4AHIF1A
SCHEMBL9506089 0.81 MEN1 (0.39) CA1CA2TSHRPAOXCASP2
SCHEMBL11142780 0.81 CA1 (0.47) SLC6A5CA1CA2TSHRPAOX
SCHEMBL6745342 0.81 TSHR (0.54) SLC6A5CA1CA2TSHRPAOX

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