SCHEMBL20127264

SCHEMBL20127264

O=C(OCOC(=O)n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.46
NTRK1 P04629 1/20 0.46
RAD52 P43351 1/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX4 Q99571 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL29469528 0.86 NTRK1 (0.58) POLBKDM4ENTRK1LMNAHTT
SCHEMBL1002968 0.86 NTRK1 (0.58) POLBKDM4ENTRK1LMNAHTT
SCHEMBL31336583 0.82 POLB (0.45) POLBNTRK1LMNAHTTMAPT
SCHEMBL2530349 0.82 ALDH1A1 (0.50) POLBKDM4ELMNAALDH1A1MEN1
SCHEMBL31336414 0.80 POLB (0.50) POLBNTRK1RAD52LMNAHTT
SCHEMBL31336571 0.80 POLB (0.42) POLBNTRK1LMNAHTTMAPT
SCHEMBL24343808 0.78 POLB (0.43) POLBKDM4ENTRK1RAD52LMNA
SCHEMBL24343279 0.78 HTR7 (0.51) POLBNTRK1LMNAHTTMAPT
SCHEMBL20866891 0.78 POLB (0.61) POLBKDM4ELMNAHTTMAPT
SCHEMBL12938938 0.78 POLB (0.55) POLBKDM4ENTRK1RAD52LMNA

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
US-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 US disclosed