SCHEMBL27678355

SCHEMBL27678355

CC(C)(C)OC(=O)C(N)(Cc1ccc(Br)nc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ BLM P54132 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL18982945 0.83 ALDH1A1 (0.37) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL27850077 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL16553913 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL2844022 0.79 BLM (0.59) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL5844669 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL27616082 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL2844025 0.79 BLM (0.59) SMN1; SMN2HIF1ABLMALDH1A1KDM4E
SCHEMBL4937591 0.79 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMALDH1A1CYP1A2
SCHEMBL6464407 0.79 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMALDH1A1CYP1A2
SCHEMBL5844647 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMALDH1A1KDM4E

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
CN-101010339-B Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO 2011-11-09 — — CN disclosed
CN-101010339-A Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2007-08-01 — — CN disclosed
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