SCHEMBL3884559

SCHEMBL3884559

COS(=O)Oc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL776589 0.89 TSHR (0.43) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL29468562 0.89 TSHR (0.43) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL11609012 0.82 TSHR (0.38) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL3892061 0.80 DRD2 (0.39) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL3885215 0.79 TDP1 (0.40) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL776617 0.78 L3MBTL1 (0.42) NPC1KMT2ASMN1; SMN2CA12CA1
SCHEMBL28777056 0.77 DRD2 (0.42) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL497623 0.77 TSHR (0.41) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL29721153 0.77 TSHR (0.41) TSHRNPC1RAB9AKMT2AMEN1
SCHEMBL11609009 0.77 TSHR (0.41) TSHRNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed