SCHEMBL23124502

SCHEMBL23124502

CC(C)c1ccc(CN(C(=O)[C@H]2CCCN(C(=O)O)C2)C2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 12/20 0.59
▸ CTNNB1 P35222 12/20 0.59
▸ OPRM1 P35372 2/20 0.45
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ CCR5 P51681 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL23124979 1.00 BCL9 (0.59) BCL9CTNNB1OPRM1UBE2MDCUN1D1
SCHEMBL23124982 1.00 BCL9 (0.59) BCL9CTNNB1OPRM1UBE2MDCUN1D1
SCHEMBL23124749 0.87 BCL9 (0.58) BCL9CTNNB1PKMHTTSMN1; SMN2
SCHEMBL23124751 0.87 BCL9 (0.58) BCL9CTNNB1PKMHTTSMN1; SMN2
SCHEMBL30093566 0.86 BCL9 (0.58) BCL9CTNNB1HTTALDH1A1
SCHEMBL30093616 0.86 BCL9 (0.58) BCL9CTNNB1HTTALDH1A1
SCHEMBL23124873 0.86 BCL9 (0.58) BCL9CTNNB1HTTALDH1A1
SCHEMBL23124721 0.86 BCL9 (0.58) BCL9CTNNB1PKMHTTSMN1; SMN2
SCHEMBL23124575 0.86 BCL9 (0.58) BCL9CTNNB1PKMHTTSMN1; SMN2
SCHEMBL23124723 0.86 BCL9 (0.58) BCL9CTNNB1PKMHTTSMN1; SMN2

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
WO-2021055936-A1 SMALL-MOLECULE INHIBITORS FOR THE Β-CATENIN/B-CELL LYMPHOMA 9 PROTEIN−PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-25 — — WO disclosed
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