SCHEMBL27935289

SCHEMBL27935289

Nc1ccccc1-c1cccc2c1C(O)c1ccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 2/20 0.39
HTR2B P41595 6/20 0.39
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR7 P34969 5/20 0.37
HTR2A P28223 1/20 0.36
IDO1 P14902 2/20 0.34
PDK2 Q15119 1/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL1077190 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD17B10HTR2BMEN1
SCHEMBL7324096 0.78 CHRNB2 (0.45) ALDH1A1HSD17B10HTR2BMEN1CYP3A4
SCHEMBL15904247 0.78 KDM4E (0.39) ALDH1A1HSD17B10HTR2BMEN1CYP3A4
SCHEMBL5160252 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10MEN1CYP3A4
SCHEMBL7183892 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10HTR2BMEN1CYP3A4
SCHEMBL29757183 0.77 EDNRB (0.46) ALDH1A1L3MBTL1HTR2BMEN1CYP3A4
SCHEMBL16970851 0.77 EDNRB (0.46) ALDH1A1L3MBTL1HTR2BMEN1CYP3A4
SCHEMBL11783880 0.76 HTR2B (0.51) ALDH1A1HSD17B10HTR2BMEN1CYP3A4
SCHEMBL1261847 0.76 MEN1 (0.45) ALDH1A1L3MBTL1HSD17B10HTR2BMEN1
SCHEMBL1635439 0.74 HTR2B (0.51) ALDH1A1L3MBTL1HSD17B10HTR2BMEN1

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
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed