SCHEMBL28050685

SCHEMBL28050685

CC(=O)CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.72
FABP5 Q01469 3/20 0.72
FABP3 P05413 1/20 0.61
HDAC6 Q9UBN7 4/20 0.59
HDAC1 Q13547 3/20 0.59
KDM4E B2RXH2 2/20 0.59
BRD4 O60885 1/20 0.54
PGR P06401 1/20 0.50
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 2/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL12938804 0.95 FABP4 (0.73) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL12938815 0.93 FABP4 (0.71) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL14421423 0.89 FABP4 (0.70) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL3316192 0.84 KDM4E (0.83) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL30573159 0.84 FABP4 (1.00) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL4314440 0.84 FABP4 (1.00) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL11379854 0.81 CNR2 (0.54) FABP4FABP5CNR2ALDH1A1HPGD
SCHEMBL20961263 0.79 KDM4E (0.80) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL12951764 0.79 FABP4 (1.00) FABP4FABP5FABP3HDAC6HDAC1
SCHEMBL1352112 0.78 FABP4 (0.71) FABP4FABP5FABP3HDAC6HDAC1

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-105418484-A Preparation method of 3-formyl(acetyl)-N-alkyl carbazole semicarbazide (thiosemicarbazide) Schiff base UNIV SHAANXI SCIENCE & TECH 2016-03-23 CN disclosed