SCHEMBL25614106

SCHEMBL25614106

CNc1ccc(OC(=O)COCCOCCOCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
MGLL Q99685 2/20 0.45
MEN1 O00255 4/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45

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
SCHEMBL14749439 0.89 BCL9 (0.60) ALDH1A1HSD17B10BCL9CTNNB1KMT2A
SCHEMBL15708314 0.88 BCL9 (0.62) ALDH1A1HSD17B10BCL9CTNNB1KMT2A
SCHEMBL4641510 0.84 BCL9 (0.63) ALDH1A1BCL9CTNNB1KMT2AMAPT
SCHEMBL4644751 0.84 BCL9 (0.58) ALDH1A1HSD17B10BCL9CTNNB1KMT2A
SCHEMBL25632339 0.83 KMT2A (0.59) ALDH1A1BCL9CTNNB1KMT2AMAPT
SCHEMBL2577561 0.82 BCL9 (0.66) ALDH1A1BCL9CTNNB1KMT2AMAPT
SCHEMBL17554614 0.81 BCL9 (0.55) ALDH1A1HSD17B10BCL9CTNNB1KMT2A
SCHEMBL14749411 0.81 BCL9 (0.51) ALDH1A1BCL9CTNNB1KMT2AMAPT
SCHEMBL17085310 0.77 BCL9 (0.56) ALDH1A1BCL9CTNNB1KMT2AMAPT
SCHEMBL9138188 0.77 KMT2A (0.67) ALDH1A1RECQLHSD17B10KMT2AMAPT

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
EP-4190359-A1 SAPONIN-BASED ADJUVANTS AND VACCINES Asociación Centro de Investigación Cooperativa en Biociencias - CIC bioGUNE (ES) 2023-06-07 EP disclosed