SCHEMBL775486

SCHEMBL775486

CCc1cc(C)ccc1C(=O)SC(=O)c1ccc(C)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AMY1A P0DUB6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SRC P12931 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL31534041 0.82 HSD17B1 (0.42) HSD17B1RAB9ANPC1CSNK2A1MEN1
SCHEMBL9217873 0.80 HSD17B1 (0.58) HSD17B1RAB9ANPC1CSNK2A1MEN1
SCHEMBL1549076 0.80 CSNK2A1 (0.53) HSD17B1CSNK2A1MEN1KMT2ACYP1A2
SCHEMBL4604668 0.78 PARP1 (0.42) HSD17B1RAB9ANPC1CSNK2A1MEN1
SCHEMBL14808369 0.78 HSD17B1 (0.40) HSD17B1RAB9ANPC1HPGDCSNK2A1
SCHEMBL775141 0.78 KMT2A (0.49) RAB9ANPC1HPGDCSNK2A1MEN1
Hydrochloric Acid SCHEMBL5614036 0.77 PARP1 (0.41) HSD17B1RAB9ANPC1HPGDCSNK2A1
SCHEMBL167162 0.77 CSNK2A1 (0.41) HSD17B1RAB9ANPC1CSNK2A1MEN1
SCHEMBL12488919 0.76 NR4A2 (0.49) RAB9ANPC1HPGDCYP1A2CYP2C9
SCHEMBL18677456 0.76 TSHR (0.55) RAB9ANPC1HPGDMEN1KMT2A

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