SCHEMBL6442567

SCHEMBL6442567

Oc1ccccc1C1(O)OO1.[CaH2].[CaH2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 3/20 0.41
CA2 P00918 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 2/20 0.41
FYN P06241 2/20 0.41
MMP9 P14780 2/20 0.41
RECQL P46063 2/20 0.41
CA12 O43570 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL28151328 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL7012977 0.70 MEN1 (0.40) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL28663338 0.70 MEN1 (0.44) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL19205451 0.68 ALDH1A1 (0.43) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL3159717 0.68 MGLL (0.39) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL9327102 0.67 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL10514967 0.67 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL6058582 0.67 MEN1 (0.41) MEN1KMT2AALDH1A1ALOX15CA2
SCHEMBL17733195 0.67 MEN1 (0.41) MEN1KMT2AALDH1A1ALOX15CA2
Catechol SCHEMBL27632964 0.66

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-2005055927-A2 COMPOSITIONS AND METHODS FOR TOPICAL TREATMENT OF SKIN INFECTION CHIOU CONSULTING INC. (US) 2005-06-23 WO disclosed