SCHEMBL22133239

SCHEMBL22133239

Bc1cc2c(cc1C=O)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.37
IGF1R P08069 1/20 0.37
ERN1 O75460 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL14070022 0.84 LMNA (0.64) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL29624374 0.79 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL583659 0.79 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL4134378 0.75 LMNA (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL31448388 0.75 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL1464773 0.75 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL29447932 0.75 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL895213 0.75 HPGD (0.55) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL2890802 0.75 HPGD (0.59) LMNAHPGDALDH1A1TDP1HSD17B10
SCHEMBL4594814 0.75 LMNA (0.59) LMNAHPGDALDH1A1TDP1HSD17B10

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-2020129082-A1 COMPOUNDS FOR THE INHIBITION OF UNREGULATED CELL GROWTH GODAVARI BIOREFINERIES LIMITED (IN) 2020-06-25 WO disclosed