SCHEMBL7260975

SCHEMBL7260975

CN(C)CCNC(=O)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
EPHX1 P07099 1/20 0.52
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NPC1 O15118 1/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
Hydrochloric Acid SCHEMBL21198744 0.98 NAAA (0.56) NAAAEPHX1PKML3MBTL1SMN1; SMN2
SCHEMBL9538617 0.98 NAAA (0.54) NAAAEPHX1PKML3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL21197531 0.96 NAAA (0.53) NAAAEPHX1PKML3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL21197517 0.93 L3MBTL1 (0.51) NAAAEPHX1PKML3MBTL1SMN1; SMN2
SCHEMBL16727370 0.84 POLB (0.53) NAAAPKML3MBTL1HSD17B10HSD11B1
SCHEMBL9795296 0.84 HSD11B1 (0.49) NAAAPKML3MBTL1HSD17B10HSD11B1
SCHEMBL7469332 0.82 POLB (0.66) NAAAEPHX1PKMSMN1; SMN2HSD17B10
SCHEMBL21860340 0.82 HSD11B1 (0.51) NAAAPKML3MBTL1HSD17B10HSD11B1
SCHEMBL19522182 0.82 HSD11B1 (0.51) NAAAPKML3MBTL1HSD17B10HSD11B1
SCHEMBL2485434 0.82 L3MBTL1 (0.46) NAAAPKML3MBTL1HSD17B10HSD11B1

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO claimed