SCHEMBL29630231

SCHEMBL29630231

CCc1c(C)oc2ccc(OCc3cccnc3C3CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 6/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PTGER4 P35408 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
PTGS2 P35354 1/20 0.37
NMT1 P30419 1/20 0.36
ACHE P22303 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 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
SCHEMBL24485010 0.83 SLC26A4 (0.67) SLC26A4KMT2AMEN1PTGER4CASP3
SCHEMBL29630351 0.83 SLC26A4 (0.67) SLC26A4KMT2AMEN1PTGER4CASP3
SCHEMBL29095817 0.82 PTGS2 (0.60) SLC26A4KMT2AMEN1LMNAMAPT
SCHEMBL24485013 0.75 SLC26A4 (0.47) SLC26A4KMT2AMEN1CASP3SENP8
SCHEMBL31723499 0.70 CASP3 (0.45) SLC26A4KMT2AMEN1CASP3SENP8
SCHEMBL17029329 0.68 OPRL1 (0.41) NMT1
SCHEMBL24485002 0.67 SLC26A4 (0.65) SLC26A4KMT2AMEN1PTGER4CASP3
SCHEMBL29629888 0.67 SLC26A4 (0.65) SLC26A4KMT2AMEN1PTGER4CASP3
SCHEMBL29095770 0.67 PTGS2 (0.64) SLC26A4KMT2AMEN1LMNAMAPT
SCHEMBL24484904 0.67 SLC26A4 (0.76) SLC26A4KMT2AMEN1PTGER4CASP3

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