SCHEMBL29630244

SCHEMBL29630244

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.44
PTGS2 P35354 3/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL29095783 1.00 TDP2 (0.44) TDP2PTGS2TP53TSHRLMNA
SCHEMBL29630286 0.91 TDP2 (0.43) TDP2PTGS2TP53TSHRLMNA
SCHEMBL24484502 0.91 TDP2 (0.43) TDP2PTGS2TP53TSHRLMNA
SCHEMBL29095735 0.91 MAPT (0.44) TDP2PTGS2TP53TSHRLMNA
SCHEMBL29630219 0.91 MAPT (0.44) TDP2PTGS2TP53TSHRLMNA
SCHEMBL24485423 0.89 SLC26A4 (0.43) TDP2LMNAMRGPRX4TDP1KDM4E
SCHEMBL29630249 0.89 SLC26A4 (0.43) TDP2LMNAMRGPRX4TDP1KDM4E
SCHEMBL24485224 0.88 TDP2 (0.42) TDP2PTGS2TP53TSHRLMNA
SCHEMBL24485742 0.85 PTGS2 (0.45) TDP2PTGS2TP53TSHRLMNA
SCHEMBL24485054 0.83 PTGS2 (0.48) PTGS2TSHRLMNAMAPTALDH1A1

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