SCHEMBL778666

SCHEMBL778666

Cc1ccccc1C(=O)C(=CP(=O)(O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GPR52 Q9Y2T5 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
PLA2G1B P04054 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATG4B Q9Y4P1 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
SCHEMBL778835 0.81 SMN1; SMN2 (0.41) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL778518 0.79 CES2 (0.59) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL780574 0.79 SMN1; SMN2 (0.42) HPGDSMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL3881991 0.79 HPGD (0.46) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL10673818 0.76 CES2 (0.47) HPGDALDH1A1KDM4EKMT2ANPC1
SCHEMBL19041315 0.76 RECQL (0.45) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL19041180 0.74 KMT2A (0.40) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL3627482 0.74 CES2 (0.61) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
Benzil SCHEMBL1515663 0.74 CES2 (0.61) HPGDKCNK3KCNK9SMN1; SMN2ALDH1A1
SCHEMBL3884833 0.73 SMN1; SMN2 (0.42) HPGDSMN1; SMN2KDM4ENPC1RAB9A

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