SCHEMBL27685360

SCHEMBL27685360

O=CC1Nc2ccc(C(=O)CBr)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.39
▸ GSK3B P49841 12/20 0.37
▸ ATM Q13315 1/20 0.31
▸ CTNNB1 P35222 1/20 0.30
▸ WNT3A P56704 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28274463 0.86 ALDH1A1 (0.42) GSK3BATMCTNNB1WNT3AUSP2
SCHEMBL27459025 0.84 HPGD (0.33) CTNNB1WNT3A
SCHEMBL27717446 0.81 KDM4E (0.39) USP2L3MBTL1
SCHEMBL27775630 0.78 MAOB (0.42) —
SCHEMBL27488773 0.74 AHR (0.35) GSK3B
SCHEMBL27859196 0.74 BRD4 (0.44) —
SCHEMBL27590615 0.71 AHR (0.35) —
SCHEMBL27590553 0.71 BRD4 (0.36) USP2L3MBTL1
SCHEMBL27699002 0.71 TGM2 (0.33) —
SCHEMBL27539125 0.71 — —

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
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 — — CN disclosed
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