SCHEMBL28826522

SCHEMBL28826522

CP(=O)(Oc1ccccc1)OC(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL310184 0.80 SRC (0.58) SRCLMNAHPGDL3MBTL1TDP1
Hydrochloric Acid SCHEMBL29186320 0.78 SRC (0.56) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL19212985 0.78 SRC (0.56) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL28056075 0.77 L3MBTL1 (0.45) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL14435346 0.75 SMN1; SMN2 (0.46) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL647070 0.74 SRC (0.52) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL27652019 0.74 SRC (0.58) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL20609300 0.74 SRC (0.52) SRCLMNAHPGDL3MBTL1TDP1
SCHEMBL20640101 0.73 SRC (0.42) SRCLMNAHPGDL3MBTL1TDP1
Butane SCHEMBL10780223 0.72 L3MBTL1 (0.55) SRCLMNAHPGDL3MBTL1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed