SCHEMBL11221524

SCHEMBL11221524

CC(C)C[C@H](N)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL11221520 1.00 BCL9 (0.51) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL7787944 0.85 BCL9 (0.57) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL11796565 0.84 BCL9 (0.49) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL6707349 0.84 BCL9 (0.49) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL10335399 0.84 BCL9 (0.49) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL28323255 0.84 BCL9 (0.51) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL515913 0.83 GAA (0.57) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL9435291 0.83 GAA (0.57) BCL9CTNNB1HTR2AGAAKMT2A
SCHEMBL9068344 0.82 BCL9 (0.50) BCL9CTNNB1HTR2AGAAKMT2A
Water SCHEMBL4754930 0.82 GAA (0.55) BCL9CTNNB1HTR2AGAAKMT2A

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-0014984-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 — — EP disclosed
Send feedback