SCHEMBL3894465

SCHEMBL3894465

Cc1cccc(-c2c(C)cccc2P(=O)(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.45
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP3 P15309 1/20 0.38
DHODH Q02127 1/20 0.38
RAB9A P51151 3/20 0.38
ACLY P53396 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
PARP1 P09874 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL3884761 0.84 PTPN5 (0.41) PTPN5CNR1CNR2L3MBTL1ACP3
SCHEMBL3893696 0.84 PTPN5 (0.43) PTPN5CNR1CNR2L3MBTL1ACP3
SCHEMBL3885852 0.83 PTK2B (0.43) PTPN5DHODHMMP8SMN1; SMN2TSHR
SCHEMBL3896470 0.80 PTPN5 (0.45) PTPN5CNR1CNR2L3MBTL1ACP3
SCHEMBL31236143 0.78 ACHE (0.52) CNR1CNR2L3MBTL1RAB9AHEXA
SCHEMBL3885127 0.76 PTPN5 (0.42) PTPN5CNR1CNR2L3MBTL1ACP3
SCHEMBL3883821 0.74 MYC (0.44) ACP3RAB9AHEXAHEXBNPC1
SCHEMBL3896469 0.72 PTPN5 (0.51) PTPN5CNR1CNR2ACP3DHODH
SCHEMBL3885143 0.72 MYC (0.40) L3MBTL1RAB9AHDAC2NPC1HPGD
SCHEMBL8084499 0.72 HSD17B1 (0.40) FFAR1CYP1A2CYP2D6

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