SCHEMBL29164403

SCHEMBL29164403

O=C(CCCCCCCCCO)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.66
CTNNB1 P35222 1/20 0.66
TDP1 Q9NUW8 1/20 0.51
MGLL Q99685 2/20 0.49
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL12189868 1.00 BCL9 (0.66) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL19170303 0.94 BCL9 (0.69) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL7079988 0.94 BCL9 (0.73) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL530771 0.94 BCL9 (0.73) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL570540 0.94 BCL9 (0.73) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL531155 0.94 BCL9 (0.73) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL531007 0.92 BCL9 (0.76) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL3919600 0.89 BCL9 (0.76) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL531330 0.88 BCL9 (0.66) BCL9CTNNB1TDP1MGLLPTPN7
SCHEMBL16915260 0.88 BCL9 (0.66) BCL9CTNNB1TDP1MGLLPTPN7

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-117658842-A Method for preparing ceramide based on active ester 重庆智合生物医药有限公司 2024-03-08 CN disclosed