SCHEMBL3944037

SCHEMBL3944037

[O]C(=Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.55
CES2 O00748 7/20 0.54
CES1 P23141 6/20 0.54
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
AKR1C3 P42330 1/20 0.47
PRMT1 Q99873 1/20 0.46
PLIN1 O60240 1/20 0.45
BCHE P06276 1/20 0.45
TNFRSF1A P19438 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL13718665 0.80 AKR1C1 (0.57) AKR1C1CES2CES1LMNAMAPT
SCHEMBL11886125 0.80 AKR1C1 (0.57) AKR1C1CES2CES1LMNAMAPT
SCHEMBL10664130 0.80 KMT2A (0.57) AKR1C1CES2CES1LMNAMAPT
SCHEMBL626786 0.80 AKR1C1 (0.57) AKR1C1CES2CES1LMNAMAPT
SCHEMBL11219395 0.78 AKR1C1 (0.73) AKR1C1CES2CES1LMNAMAPT
SCHEMBL11219398 0.78 AKR1C1 (0.73) AKR1C1CES2CES1LMNAMAPT
Bicarbonate SCHEMBL28922000 0.77 ESR1 (0.65) AKR1C1LMNAMAPTALDH1A1KMT2A
SCHEMBL4730607 0.77 AKR1C1 (0.59) AKR1C1CES2CES1LMNAMAPT
SCHEMBL112002 0.77 AKR1C1 (0.59) AKR1C1CES2CES1LMNAMAPT
SCHEMBL7101077 0.77 AKR1C1 (0.53) AKR1C1CES2CES1LMNAMAPT

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
JP-2009073761-A LEPTIN PRODUCTION PROMOTER NIPPON SEIBUTSU KAGAKU KENKYUSHO:KK 2009-04-09 JP disclosed