SCHEMBL29630284

SCHEMBL29630284

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 4/20 0.42
MRGPRX4 Q96LA9 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 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 2/20 0.38
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
APEX1 P27695 1/20 0.36
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL24484503 1.00 SLC26A4 (0.42) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL24485423 0.91 SLC26A4 (0.43) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL29630249 0.91 SLC26A4 (0.43) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL29630286 0.89 TDP2 (0.43) MRGPRX4LMNAPOLBKDM4ETDP1
SCHEMBL24484502 0.89 TDP2 (0.43) MRGPRX4LMNAPOLBKDM4ETDP1
SCHEMBL24485230 0.87 SLC26A4 (0.40) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL29629926 0.85 SLC26A4 (0.43) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL24484905 0.85 SLC26A4 (0.43) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL24484512 0.82 SLC26A4 (0.48) SLC26A4MRGPRX4MEN1KMT2ALMNA
SCHEMBL29630147 0.82 SLC26A4 (0.48) SLC26A4MRGPRX4MEN1KMT2ALMNA

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