SCHEMBL5068525

SCHEMBL5068525

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
TSHR P16473 3/20 0.56
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ALDH1A1 P00352 1/20 0.48
MGLL Q99685 1/20 0.48
KCNH2 Q12809 2/20 0.46
LSS P48449 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL713324 0.90 MAPT (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL9332678 0.89 POLB (0.61) TDP1POLBAPEX1HTTTSHR
SCHEMBL8897411 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL8897407 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL9499865 0.86 TDP1 (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL10333121 0.86 HTT (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL9499693 0.86 TDP1 (0.57) TDP1POLBAPEX1HTTMAPT
SCHEMBL10485764 0.85 TDP1 (0.56) TDP1POLBAPEX1HTTMAPT
SCHEMBL9133114 0.85 PTGS2 (0.56) TDP1POLBAPEX1HTTMAPT
SCHEMBL22490709 0.82 TSHR (0.69) TDP1POLBAPEX1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 WO disclosed