SCHEMBL14930449

SCHEMBL14930449

COC(=O)/C=C/c1ccc2ccccc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
NCEH1 Q6PIU2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A1 P04798 2/20 0.44

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
SCHEMBL23606857 0.86 KMT2A (0.49) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL14930447 0.84 KDM4E (0.47) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL14930448 0.84 CYP1A1 (0.52) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL7394712 0.84 MAOB (0.59) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL14930451 0.84 SMN1; SMN2 (0.47) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL7394709 0.84 MAOB (0.59) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL5292811 0.83 HDAC8 (0.64) L3MBTL1KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14926749 0.82 ALDH1A1 (0.46) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL27533541 0.80 ALDH1A1 (0.49) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC
SCHEMBL3165097 0.79 NCEH1 (0.51) L3MBTL1KDM4EKMT2ASMN1; SMN2CCNC

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-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 US disclosed