SCHEMBL9446512

SCHEMBL9446512

COC(=O)CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.70
CTNNB1 P35222 1/20 0.70
MAPT P10636 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MGLL Q99685 2/20 0.55
PTGS2 P35354 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 4/20 0.53
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49

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
SCHEMBL531007 0.92 BCL9 (0.76) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL531155 0.91 BCL9 (0.73) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL530771 0.91 BCL9 (0.73) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL7079988 0.91 BCL9 (0.73) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL570540 0.91 BCL9 (0.73) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL3919600 0.89 BCL9 (0.76) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL14088868 0.88 BCL9 (0.70) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL1400174 0.88 BCL9 (0.80) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL1916980 0.87 BCL9 (0.78) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL135634 0.87 BCL9 (0.78) BCL9CTNNB1MAPTKMT2AALDH1A1

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
US-5227241-A LAMINATED GLASS SAINT-GOBAIN VITRAGE INTERNATIONAL (FR) 1993-07-13 US disclosed