SCHEMBL777937

SCHEMBL777937

C=CC(C)(C(=O)c1ccc(C)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NLRP1 Q9C000 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL780019 0.81 KCNK3 (0.45) ALDH1A1SMN1; SMN2HPGDTDP1MEN1
SCHEMBL777019 0.78 CA2 (0.50) CA2ALDH1A1LMNAHTTNPSR1
SCHEMBL18088498 0.77 CA2 (0.48) CA2ALDH1A1LMNAHTTNPSR1
SCHEMBL777436 0.74 HPGD (0.42) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL779592 0.74 CES1 (0.41) CA2ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3885613 0.70 TSHR (0.41) ALDH1A1LMNAHPGDGAAPTPN1
SCHEMBL1701967 0.69 CA2 (0.57) CA2ALDH1A1LMNAHTTNPSR1
SCHEMBL777842 0.69 CA2 (0.58) CA2ALDH1A1LMNAHTTNPSR1
SCHEMBL11845852 0.68 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HPGDTDP1
SCHEMBL727083 0.68 CA2 (0.55) CA2ALDH1A1LMNAHTTNPSR1

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