SCHEMBL778105

SCHEMBL778105

CCc1c(C)cccc1C(=O)SC(=O)c1cccc(C)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MYC P01106 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
CXCR5 P32302 1/20 0.35

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
SCHEMBL1549077 0.81 ALDH1A1 (0.57) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL697398 0.81 BRPF1 (0.43) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10309766 0.80 KDM4E (0.34) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6297420 0.80 CXCR5 (0.36) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1660584 0.79 PARP1 (0.46) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2007368 0.78 HPGD (0.44) TSHRALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL28802432 0.78 ALDH1A1 (0.53) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7870569 0.76 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10KDM4EMYC
SCHEMBL7428925 0.76 TSHR (0.63) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL15775525 0.76 KMT2A (0.43) TSHRALDH1A1HPGDHSD17B10KDM4E

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