SCHEMBL777501

SCHEMBL777501

Cc1ccccc1C(=O)c1c(C)cccc1P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MYC P01106 1/20 0.38

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
SCHEMBL779422 0.86 MYC (0.43) PTK2BRXFP1HPGDMAPTCYP3A4
SCHEMBL7041793 0.82 CYP3A4 (0.48) HPGDHTTCYP3A4CYP2C9KMT2A
SCHEMBL779625 0.80 ALDH1A1 (0.48) PTK2BRXFP1HPGDMAPTSMN1; SMN2
SCHEMBL28792396 0.79 KMT2A (0.42) PTK2BRXFP1HPGDMAPTKMT2A
SCHEMBL29759522 0.79 KMT2A (0.42) PTK2BRXFP1HPGDMAPTKMT2A
SCHEMBL2230263 0.78 CYP3A4 (0.50) HPGDHTTCYP3A4CYP2C9KMT2A
SCHEMBL779279 0.78 HDAC8 (0.47) HPGDMAPTNPC1RAB9AKMT2A
SCHEMBL29396541 0.77 PTK2B (0.51) PTK2BRXFP1HPGDMAPTKMT2A
SCHEMBL19435613 0.77 PTK2B (0.51) PTK2BRXFP1HPGDMAPTKMT2A
SCHEMBL31162442 0.77 PTK2B (0.51) PTK2BRXFP1HPGDMAPTKMT2A

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