SCHEMBL28836790

SCHEMBL28836790

CCCCC(CCCC)c1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
RGS12 O14924 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PARP10 Q53GL7 4/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
PARP4 Q9UKK3 2/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL27899700 0.93 MEN1 (0.51) HSD17B10MAPK1KMT2AMEN1APAF1
SCHEMBL15298872 0.89 HSD17B10 (0.53) HSD17B10MAPK1KMT2AMEN1APAF1
SCHEMBL28533240 0.82 BDKRB2 (0.49) HSD17B10MAPK1HDAC8HDAC6ALDH1A1
SCHEMBL19987509 0.81 HDAC8 (0.61) HSD17B10MAPK1KMT2AMEN1APAF1
SCHEMBL28313400 0.81 MAPK1 (0.49) HSD17B10MAPK1KMT2AMEN1APAF1
SCHEMBL22563037 0.81 RARB (0.47) KMT2AMEN1ALDH1A1
SCHEMBL10956533 0.79 TP53 (0.53) KMT2AMEN1ALDH1A1NR1I2
SCHEMBL19464655 0.79 HSD17B10 (0.48) HSD17B10MAPK1KMT2AMEN1APAF1
SCHEMBL23168986 0.79 RARB (0.51) KMT2AMEN1ALDH1A1NR1I2
Dodecane SCHEMBL9222476 0.78 MEN1 (0.67) MAPK1KMT2AMEN1APAF1RGS12

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-106278775-A The preparation method of a kind of arylamides and purification method thereof 温州大学 2017-01-04 CN disclosed