SCHEMBL29630286

SCHEMBL29630286

CCOC(=O)c1c(C)oc2ccc(OCc3cccnc3C(F)(F)F)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PTGS2 P35354 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL24484502 1.00 TDP2 (0.43) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL29630244 0.91 TDP2 (0.44) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL29095783 0.91 TDP2 (0.44) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL29095735 0.90 MAPT (0.44) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL29630219 0.90 MAPT (0.44) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL24484503 0.89 SLC26A4 (0.42) TDP2MRGPRX4LMNAKDM4EHTT
SCHEMBL29630284 0.89 SLC26A4 (0.42) TDP2MRGPRX4LMNAKDM4EHTT
SCHEMBL24485224 0.87 TDP2 (0.42) TDP2MRGPRX4PTGS2TP53TSHR
SCHEMBL24484498 0.83 PTGS2 (0.47) PTGS2TSHRLMNAMAPTMAPK1
SCHEMBL29630207 0.83 PTGS2 (0.47) PTGS2TSHRLMNAMAPTMAPK1

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
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed