SCHEMBL10522326

SCHEMBL10522326

O=C(c1ccccc1)c1cccc2c1C(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
CCR6 P51684 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
CDC25B P30305 2/20 0.43
APAF1 O14727 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL1271125 0.81 ALDH1A1 (0.49) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL27909830 0.78 AKR1C3 (0.53) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL9285821 0.76 AKR1C3 (0.43) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL934810 0.75 AKR1C3 (0.59) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL700595 0.73 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL29447165 0.73 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL14801717 0.73 AKR1C3 (0.57) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL857849 0.72 AKR1C3 (0.67) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL308358 0.71 ALDH1A1 (0.71) AKR1C3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL1127768 0.71 AKR1C3 (0.46) AKR1C3MAPTGAAALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1092410-A None JP disclosed
JP-H0192410-A FILAMENT OF FIBER-FORMING POLYESTER COPOLYMER E I DU PONT DE NEMOURS & CO 1989-04-11 JP disclosed