SCHEMBL779856

SCHEMBL779856

Cc1ccc(C(=O)c2c(C)ccc(C(=O)P(=O)(O)O)c2C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
SRD5A2 P31213 2/20 0.43
AKR1C3 P42330 1/20 0.41
GAA P10253 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2258545 0.76 ALDH1A1 (0.61) ALDH1A1LMNASRD5A2GAACES2
SCHEMBL778488 0.75 AKR1C3 (0.41) ALDH1A1LMNASRD5A2AKR1C3CES2
SCHEMBL781097 0.73 POLB (0.49) ALDH1A1LMNAHDAC6TDP1SMN1; SMN2
SCHEMBL11056557 0.72 AKR1C3 (0.61) ALDH1A1LMNASRD5A2AKR1C3GAA
SCHEMBL777318 0.71 ALDH1A1 (0.50) ALDH1A1LMNASRD5A2AKR1C3GAA
SCHEMBL11139454 0.71 MEN1 (0.50) ALDH1A1LMNAGAASMN1; SMN2TSHR
SCHEMBL779625 0.70 ALDH1A1 (0.48) ALDH1A1LMNASRD5A2AKR1C3GAA
SCHEMBL779209 0.70 MAPK13 (0.39) ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL1666971 0.69 ALDH1A1 (0.50) ALDH1A1LMNAAKR1C3GAACES2
SCHEMBL9999618 0.69 ALDH1A1 (0.58) ALDH1A1LMNASRD5A2AKR1C3GAA

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