SCHEMBL16613797

SCHEMBL16613797

CCCCC(CC)CNC(=O)c1cccc(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.46
MAP4K1 Q92918 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
UNG P13051 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
ERN1 O75460 1/20 0.40
ATM Q13315 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
SCHEMBL6684609 0.82 TSHR (0.59) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL22062059 0.82 TSHR (0.59) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL22373757 0.82 TSHR (0.63) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL11300484 0.80 TSHR (0.64) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL15651954 0.79 GAA (0.73) SMN1; SMN2LMNAKMT2AGAAHSD17B10
SCHEMBL6184692 0.77 UNG (0.56) L3MBTL1SMN1; SMN2KMT2AGAAHSD17B10
SCHEMBL22062161 0.77 TSHR (0.50) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL13612671 0.76 TSHR (0.57) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL13822673 0.75 KMT2A (0.59) TSHRHTTL3MBTL1GLASMN1; SMN2
SCHEMBL18736290 0.75 SMN1; SMN2 (0.57) HTTL3MBTL1SMN1; SMN2KMT2AGAA

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-2015046618-A1 DYE COMPOUND, INK, AND RESIST COMPOSITION FOR COLOR FILTER CANON KABUSHIKI KAISHA (JP) 2015-04-02 WO disclosed