SCHEMBL30569409

SCHEMBL30569409

CCOC(=O)c1coc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HSP90AA1 P07900 1/20 0.56
NMT1 P30419 4/20 0.56
NMT2 O60551 1/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAOA P21397 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GABRA1 P14867 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL24470811 1.00 MAOB (0.60) MAOBMEN1KMT2AHSP90AA1NMT1
SCHEMBL24471022 0.85 MAOB (0.66) MAOBMEN1KMT2ACASP3SENP8
SCHEMBL23117661 0.82 CASP3 (0.52) MAOBMEN1KMT2ACASP3SENP8
SCHEMBL28561390 0.81 GPBAR1 (0.48) MAOBMEN1KMT2AHSP90AA1NMT1
SCHEMBL4792619 0.81 ALDH1A1 (0.68) MAOBMEN1KMT2AL3MBTL1TSHR
SCHEMBL7950720 0.81 MAOB (0.79) MAOBMEN1KMT2ACASP3SENP8
SCHEMBL30254805 0.80 GPBAR1 (0.62) MAOBNMT1NMT2
SCHEMBL28564336 0.80 GPBAR1 (0.62) MAOBNMT1NMT2
SCHEMBL7956495 0.80 MAOB (0.79) MAOBMEN1KMT2ACASP3SENP8
SCHEMBL717067 0.79 KDM4E (0.62) MAOBMEN1KMT2ACASP3SENP8

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
CN-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 CN disclosed