SCHEMBL19446018

SCHEMBL19446018

O=C(CCCCCCCC(=O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.61
HSP90AB1 P08238 3/20 0.61
LMNA P02545 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
NPSR1 Q6W5P4 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
XBP1 P17861 2/20 0.59
HKDC1 Q2TB90 2/20 0.59
FGFR1 P11362 5/20 0.56
FGFR2 P21802 5/20 0.56
FGFR4 P22455 5/20 0.56
FGFR3 P22607 5/20 0.56
SRC P12931 3/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 4/20 0.48

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
SCHEMBL21698051 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL17969798 0.82 HSP90AA1 (0.68) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL8028224 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL13679121 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL13770821 0.79 FGFR1 (0.85) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL15827661 0.77 NPSR1 (0.56) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL13679127 0.77 NPSR1 (0.56) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL17969802 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL5390429 0.75 ALDH1A1 (1.00) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1
SCHEMBL17969803 0.73 HSP90AA1 (0.70) HSP90AA1HSP90AB1LMNAL3MBTL1NPSR1

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
EP-2799461-B1 POLYCARBONATE COPOLYMER, AND COATING LIQUID AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING SAME IDEMITSU KOSAN CO (JP) 2017-10-11 EP disclosed