SCHEMBL9505929

SCHEMBL9505929

NCCCC(=O)NCCSSCCNC(=O)CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
SLC6A5 Q9Y345 2/20 0.42
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL9506124 0.92 SLC6A5 (0.51) SLC6A5LMNATHRBBLMKMT2A
SCHEMBL9506058 0.90 SLC6A5 (0.45) CA1CA2SLC6A5TSHRLMNA
Alethine SCHEMBL689905 0.87 TSHR (0.41) CA1CA2SLC6A5TSHRLMNA
SCHEMBL9508405 0.86 SLC6A5 (0.50) CA1CA2SLC6A5TSHRLMNA
SCHEMBL23154558 0.84 CA1 (0.41) CA1CA2SLC6A5TSHRLMNA
SCHEMBL16549625 0.83 FAAH (0.45) CA1CA2SLC6A5TSHRCA9
SCHEMBL11142780 0.82 CA1 (0.47) CA1CA2SLC6A5TSHRLMNA
SCHEMBL24761185 0.82 SLC6A5 (0.51) CA1CA2SLC6A5TSHRLMNA
SCHEMBL23394528 0.82 SLC6A5 (0.54) SLC6A5FAAHLPAR1CASP2
SCHEMBL12248456 0.82 PAOX (0.46) SLC6A5TSHRPAOXKDM4AHIF1A

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
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
US-4816482-A Radioprotective agents having an amino-thioalkyl structure CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-03-28 US disclosed