SCHEMBL29630207

SCHEMBL29630207

CCOC(=O)c1c(C)oc2cc(F)c(OCc3cccnc3C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.44
F2 P00734 6/20 0.44
F11 P03951 5/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL24484498 1.00 PTGS2 (0.47) PTGS2TSHRPKMF2F11
SCHEMBL24485054 0.92 PTGS2 (0.48) PTGS2TSHRPKMF2F11
SCHEMBL29630147 0.90 SLC26A4 (0.48) PTGS2F11LMNATDP1HTT
SCHEMBL24484512 0.90 SLC26A4 (0.48) PTGS2F11LMNATDP1HTT
SCHEMBL24485752 0.88 PTGS2 (0.44) PTGS2TSHRPKMF2F11
SCHEMBL29630215 0.85 PTGS2 (0.61) PTGS2TSHRMAPTLMNATDP1
SCHEMBL29095725 0.85 PTGS2 (0.61) PTGS2TSHRMAPTLMNATDP1
SCHEMBL30719908 0.84 PTGS2 (0.50) PTGS2TSHRMAPTLMNATDP1
SCHEMBL30719907 0.84 PTGS2 (0.50) PTGS2TSHRMAPTLMNATDP1
SCHEMBL26699043 0.84 PTGS2 (0.50) PTGS2TSHRMAPTLMNATDP1

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