SCHEMBL5030176

SCHEMBL5030176

CC(C=O)=Cc1ccccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 4/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
ERN1 O75460 4/20 0.43
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL18717064 0.82 ALDH1A1 (0.52) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL28830141 0.81 TRIM24 (0.56) ALDH1A1TSHRLMNATDP1TRIM24
SCHEMBL28280107 0.81 ALDH1A1 (0.56) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL13589808 0.81 TRIM24 (0.56) ALDH1A1TSHRLMNATDP1TRIM24
SCHEMBL11744871 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL5203307 0.79 ALDH1A1 (0.53) ALDH1A1TSHRERN1CYP1A2CYP2C9
SCHEMBL21294253 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL28178629 0.79 ALDH1A1 (0.53) ALDH1A1TSHRERN1CYP1A2CYP2C9
SCHEMBL11744877 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL28220952 0.79 ALDH1A1 (0.53) ALDH1A1TSHRLMNAKMT2AMEN1

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-20080214708-A1 Asymmetrically substituted phosphinic acids CLARIANT INTERNATIONAL LTD. 2008-09-04 US disclosed