SCHEMBL3893129

SCHEMBL3893129

Cc1ccccc1C(C)CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.54
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
ESR1 P03372 1/20 0.39
NR3C2 P08235 1/20 0.38
TSHR P16473 1/20 0.37
FDPS P14324 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SRC P12931 1/20 0.35
ANPEP P15144 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3884606 0.83 ACP3 (0.61) ACP3MEN1KMT2ACYP1A2ESR1
SCHEMBL16859927 0.80 ACP3 (0.49) ACP3MEN1KMT2AESR1NR3C2
SCHEMBL3884599 0.79 ACP3 (0.65) ACP3MEN1KMT2ACYP1A2NR3C2
SCHEMBL3885137 0.79 ACP3 (0.59) ACP3ESR1TSHRFDPSALDH1A1
SCHEMBL28980047 0.79 ACP3 (0.59) ACP3ESR1TSHRFDPSALDH1A1
SCHEMBL16859929 0.76 ACP3 (0.79) ACP3ESR1TSHRFDPSALDH1A1
SCHEMBL5040308 0.75 SRC (0.54) ACP3MEN1KMT2ACYP1A2SRC
SCHEMBL593086 0.74 ESR1 (0.46) ACP3CYP1A2ESR1NR3C2TSHR
SCHEMBL7176631 0.73 ESR1 (0.50) ACP3ESR1NR3C2TSHRLMNA
SCHEMBL21616476 0.73 ACP3 (0.53) ACP3ESR1ALDH1A1ANPEP

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