SCHEMBL779042

SCHEMBL779042

Cc1ccc(C(=O)P(=O)(O)OC(=O)c2cccc(C)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ATM Q13315 1/20 0.36
AKR1C3 P42330 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL779557 0.84 ALDH1A1 (0.40) PTK2BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL778026 0.84 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL779420 0.81 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL27511206 0.79 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL10277449 0.76 PTPN5 (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL10277450 0.76 LMNA (0.41) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL779421 0.75 SMN1; SMN2 (0.42) KMT2AALDH1A1LMNARAB9ATDP1
SCHEMBL779312 0.75 KMT2A (0.42) PTK2BRXFP1KMT2AMEN1ALDH1A1
SCHEMBL10277486 0.74 HDAC7 (0.52) PTK2BRXFP1ALDH1A1LMNATDP1
SCHEMBL11613229 0.72 AKR1C3 (0.59) ALDH1A1LMNATDP1NPC1SMN1; SMN2

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