SCHEMBL11096336

SCHEMBL11096336

CCC(=O)Cl.CCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.68
CTNNB1 P35222 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.65
KMT2A Q03164 3/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
GAA P10253 1/20 0.54
PTPN7 P35236 1/20 0.53
PTPN12 Q05209 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
MGLL Q99685 2/20 0.52
ESR1 P03372 2/20 0.50
HIF1A Q16665 2/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2294100 0.94 BCL9 (0.76) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL27716579 0.92 BCL9 (0.73) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL10727099 0.85 MAPT (0.70) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL2738370 0.83 BCL9 (0.66) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL10722598 0.81 MAPT (0.65) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL10727729 0.81 MAPT (0.65) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL133257 0.81 BCL9 (1.00) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL20467771 0.80 HTR2A (0.71) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL2294260 0.80 BCL9 (0.66) BCL9CTNNB1SMN1; SMN2KMT2ANPC1
SCHEMBL9967879 0.80 BCL9 (0.70) BCL9CTNNB1SMN1; SMN2KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049860-B1 PROCESS FOR THE PREPARATION OF REACTIVE THYROID GLAND HORMONES T3 AND T4 DERIVATIVES THAT ARE CAPABLE OF COUPLING, AND THEIR USE Roche Diagnostics GmbH (DE) 1984-10-03 EP disclosed
EP-0049860-A1 Process for the preparation of reactive thyroid gland hormones T3 and T4 derivatives that are capable of coupling, and their use Roche Diagnostics GmbH (DE) 1982-04-21 EP disclosed