SCHEMBL3883015

SCHEMBL3883015

Cc1ccc(C(C)P(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
MMP8 P22894 2/20 0.48
CA1 P00915 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
PGK1 P00558 2/20 0.43
PGK2 P07205 2/20 0.43
MMP2 P08253 2/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACHE P22303 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
HPGD P15428 1/20 0.39
ACP3 P15309 1/20 0.39

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
SCHEMBL2199107 0.82 ESR1 (0.52) CA12CA1LMNAPGK1PGK2
SCHEMBL2637390 0.80 PGK1 (0.41) PGK1PGK2ACP3GAA
SCHEMBL18893734 0.79 LMNA (0.42) CA12MMP8CA1LMNATSHR
SCHEMBL1552133 0.79 SRC (0.60) CA12MMP8CA1LMNATSHR
SCHEMBL232549 0.79 SRC (0.60) PGK1PGK2ACP3
SCHEMBL16859932 0.79 ACP3 (0.58) CA12MMP8CA1LMNATSHR
SCHEMBL11080198 0.77 PGK1 (0.59) CA12MMP8CA1LMNATSHR
SCHEMBL28543474 0.77 SRC (0.58) PGK1PGK2ACP3
SCHEMBL5743524 0.77 PGK1 (0.59) CA12MMP8CA1LMNATSHR
SCHEMBL3889193 0.77 ACHE (0.50) CA12MMP8CA1LMNATSHR

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