SCHEMBL29630351

SCHEMBL29630351

Cc1oc2ccc(OCc3cccnc3C3CC3)cc2c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 7/20 0.67
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
POLB P06746 1/20 0.57
LMNA P02545 3/20 0.55
BLM P54132 1/20 0.55
ATM Q13315 1/20 0.55
HTT P42858 1/20 0.55
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ANO1 Q5XXA6 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
PTGER4 P35408 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL24485010 1.00 SLC26A4 (0.67) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL29095817 0.90 PTGS2 (0.60) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL24484904 0.86 SLC26A4 (0.76) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL29629888 0.85 SLC26A4 (0.65) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL24485002 0.85 SLC26A4 (0.65) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL24485029 0.84 SLC26A4 (0.59) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL29629853 0.84 SLC26A4 (0.59) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL27090435 0.84 SLC26A4 (0.72) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL29630231 0.83 SLC26A4 (0.43) SLC26A4KMT2AMEN1POLBLMNA
SCHEMBL24484972 0.83 SLC26A4 (0.71) SLC26A4KMT2AMEN1POLBLMNA

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