SCHEMBL29630249

SCHEMBL29630249

Cc1oc2ccc(OCc3cccnc3C(F)(F)F)c(C)c2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP2 O95551 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
APEX1 P27695 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
HTT P42858 1/20 0.36
EGFR P00533 1/20 0.36
FFAR1 O14842 1/20 0.35
EDNRA P25101 1/20 0.34
SLC26A3 P40879 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL24485423 1.00 SLC26A4 (0.43) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL24484503 0.91 SLC26A4 (0.42) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29630284 0.91 SLC26A4 (0.42) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29630244 0.89 TDP2 (0.44) POLBLMNAKDM4EHSD17B10TDP1
SCHEMBL29095783 0.89 TDP2 (0.44) POLBLMNAKDM4EHSD17B10TDP1
SCHEMBL24485230 0.88 SLC26A4 (0.40) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL24485049 0.82 SLC26A4 (0.51) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29630264 0.82 SLC26A4 (0.51) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL24484512 0.81 SLC26A4 (0.48) SLC26A4MEN1KMT2APOLBLMNA
SCHEMBL29630147 0.81 SLC26A4 (0.48) SLC26A4MEN1KMT2APOLBLMNA

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