SCHEMBL776222

SCHEMBL776222

CSSC(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
NLRP1 Q9C000 1/20 0.46
GAA P10253 1/20 0.46
NTSR1 P30989 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL777846 0.88 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL775142 0.81 ALDH1A1 (0.56) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL5031044 0.79 KMT2A (0.47) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL775535 0.78 ALDH1A1 (0.59) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL775692 0.77 ALDH1A1 (0.46) ALDH1A1CES2CES1LMNASMN1; SMN2
Hydrazine SCHEMBL28072930 0.76 TSHR (0.44) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL15159793 0.76 ALDH1A1 (0.50) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL777251 0.75 PARP1 (0.55) SMN1; SMN2KMT2ATDP1MEN1HPGD
SCHEMBL2831004 0.74 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL17422144 0.74 ALDH1A1 (0.54) ALDH1A1CES2CES1LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed