SCHEMBL5565829

SCHEMBL5565829

CC(O)Sc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
LIG1 P18858 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
SCHEMBL28380710 0.88 AKR1C3 (0.50) AKR1C3GAAMAPTPOLBBCL2
SCHEMBL8229598 0.80 POLB (0.44) MAPTPOLBMCL1ALDH1A1KMT2A
SCHEMBL8578095 0.78 AKR1C3 (0.55) AKR1C3GAAMAPTPOLBALDH1A1
SCHEMBL9625706 0.77 AKR1C3 (0.59) AKR1C3GAAMAPTPOLBALDH1A1
SCHEMBL8376800 0.77 POLB (0.65) AKR1C3GAAMAPTPOLBALDH1A1
SCHEMBL10585003 0.77 AKR1C3 (0.50) AKR1C3GAAMAPTPOLBALDH1A1
SCHEMBL10523721 0.76 ALDH1A1 (0.46) AKR1C3GAAMAPTBCL2MCL1
SCHEMBL28826038 0.76 MAPT (0.59) AKR1C3GAAMAPTPOLBALDH1A1
SCHEMBL28425419 0.74 RAB9A (0.45) AKR1C3GAAMAPTPOLBBCL2
SCHEMBL28423660 0.74 RAB9A (0.51) AKR1C3GAAMAPTPOLBALDH1A1

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
US-20070128441-A1 Process for the production of strongly adherent coatings CIBA SPECIALTY CHEMICALS CORP. 2007-06-07 US disclosed