SCHEMBL3883725

SCHEMBL3883725

Cc1ccc(C(CP(=O)(O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 1/20 0.46
MMP8 P22894 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
MMP2 P08253 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACP3 P15309 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PGK1 P00558 2/20 0.40
PGK2 P07205 2/20 0.40

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
SCHEMBL3896709 0.94 ACP3 (0.49) LMNAACP3
SCHEMBL3889193 0.82 ACHE (0.50) CA12CA1MMP8LMNATSHR
SCHEMBL875769 0.80 SRC (0.60) ACP3PGK1PGK2
SCHEMBL28002095 0.80 CA12 (0.43) CA12CA1MMP8LMNATSHR
SCHEMBL779192 0.79 CA12 (0.46) CA12LMNACYP1A2MMP2ACP3
SCHEMBL16859930 0.77 ACP3 (0.65) GAAACP3PGK1PGK2
SCHEMBL1552133 0.76 SRC (0.60) CA12CA1MMP8LMNATSHR
SCHEMBL16859932 0.76 ACP3 (0.58) CA12CA1MMP8LMNATSHR
SCHEMBL31169492 0.75 PGK1 (0.41) CA12CA1MMP8LMNATSHR
SCHEMBL3883015 0.74 CA12 (0.48) CA12CA1MMP8LMNATSHR

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