SCHEMBL9480422

SCHEMBL9480422

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCOc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
LSS P48449 2/20 0.45
CYP1A2 P05177 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
SCHEMBL9480426 1.00 PTGS2 (0.57) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL8897411 0.96 HTT (0.57) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL10333121 0.96 HTT (0.57) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL8897407 0.96 HTT (0.57) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL9133114 0.94 PTGS2 (0.56) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL10479349 0.91 PTGS2 (0.49) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL10333148 0.90 MAPT (0.49) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL10332681 0.88 PTGS2 (0.47) PTGS2HTTPOLBAPEX1TDP1
SCHEMBL9332678 0.85 POLB (0.61) HTTPOLBAPEX1TDP1MAPT
SCHEMBL10397395 0.84 EPHX1 (0.47) PTGS2HTTPOLBAPEX1TDP1

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-5224196-A Waveguide device and method for phase matched second harmonic generation HOECHST CELANESE CORP. 1993-06-29 US disclosed