SCHEMBL2836937

SCHEMBL2836937

CC(C)=C(Cc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NOS2 P35228 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5814056 0.88 CES1 (0.50) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL10584888 0.87 CES1 (0.58) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL10584878 0.87 CES1 (0.58) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL9860795 0.83 CES1 (0.54) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL11109782 0.83 CES1 (0.54) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL28142521 0.83 CES1 (0.54) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL25172612 0.82 CA2 (0.59) FNTAFNTBSLC7A5CTBP2LMNA
SCHEMBL9003508 0.80 CES1 (0.50) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL9003513 0.80 CES1 (0.50) CES1CES2AKR1B1HIF1AALDH1A1
SCHEMBL3171335 0.79 CES1 (0.54) CES1CES2AKR1B1HIF1AALDH1A1

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-2010121042-A1 PROCESS FOR ABSORBING AND ADSORBING OIL DEGRADATION PRODUCTS FROM LUBRICATING OILS FLUITEC INTERNATIONAL (US) 2010-10-21 WO disclosed