SCHEMBL28063255

SCHEMBL28063255

CCC(C)c1cc(-c2c([N+](=O)[O-])cccc2[N+](=O)[O-])ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
RORC P51449 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
CASP6 P55212 1/20 0.40
GPR35 Q9HC97 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
CTSB P07858 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL27548526 0.80 TSHR (0.58) TDP1MAPTMAPK1RORCTSHR
SCHEMBL27369469 0.78 MAPT (0.51) TDP1MAPTMAPK1RORCTSHR
SCHEMBL27455401 0.77 TSHR (0.68) TDP1MAPTMAPK1TSHRPOLB
SCHEMBL6905688 0.77 GPR35 (0.56) TDP1MAPTMAPK1TSHRPOLB
SCHEMBL10441240 0.76 ALOX15 (0.50) TDP1MAPTMAPK1RORCTSHR
SCHEMBL16581418 0.76 TSHR (0.55) RORCTSHRCYP3A4HPGDHDAC4
SCHEMBL8041378 0.75 SMN1; SMN2 (0.51) TDP1MAPTMAPK1RORCTSHR
SCHEMBL16225013 0.74 TDP1 (0.50) TDP1MAPTMAPK1TSHRGPR35
SCHEMBL11686194 0.74 GPR35 (0.50) TDP1MAPTMAPK1TSHRGPR35
SCHEMBL6680488 0.73 ALDH1A1 (0.50) TDP1MAPTMAPK1TSHR

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
CN-105440252-A UV-curable waterborne polyurethane modified epoxy itaconic acid resin and preparation method thereof UNIV GUANGZHOU 2016-03-30 CN claimed
CN-105440252-A UV-curable waterborne polyurethane modified epoxy itaconic acid resin and preparation method thereof UNIV GUANGZHOU 2016-03-30 CN disclosed