SCHEMBL1629563

SCHEMBL1629563

CN(C)C(=O)C(O)=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
AKR1C1 Q04828 1/20 0.44
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
FBP1 P09467 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MCL1 Q07820 1/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39

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
SCHEMBL11689767 0.79 ALDH1A1 (0.54) AKR1C3ALDH1A1TSHRKMT2ARECQL
SCHEMBL6643328 0.77 MCL1 (0.50) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL23605859 0.76 KMT2A (0.59) AKR1C3ALDH1A1AKR1C1KMT2AMEN1
SCHEMBL8522683 0.76 AKR1C3 (0.61) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL3984746 0.76 AKR1C3 (0.61) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL3912820 0.75 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL11139540 0.75 ALDH1A1 (0.50) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL141612 0.75 AKR1C3 (0.60) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL7454012 0.75 AKR1C3 (0.60) AKR1C3ALDH1A1TSHRAKR1C1KMT2A
SCHEMBL243721 0.75 AKR1C3 (0.60) AKR1C3ALDH1A1TSHRAKR1C1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-20110089114-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS LIVINGSTONE GREGORY J 2011-04-21 US disclosed
WO-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed