SCHEMBL31444016

SCHEMBL31444016

COC(=O)c1cc(Br)cc(OC(C)=O)c1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.43
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ TNFSF11 O14788 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ HMGB1 P09429 1/20 0.35
▸ GGT1 P19440 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL38663430 0.86 KDM4E (0.44) POLBHSD17B10KDM4EALDH1A1GAA
SCHEMBL23704924 0.86 KDM4E (0.44) POLBHSD17B10KDM4EALDH1A1GAA
SCHEMBL31444120 0.80 POLB (0.51) CFDPOLBHSD17B10KDM4EALDH1A1
SCHEMBL21509656 0.78 NR4A2 (0.38) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL2252130 0.78 MAPK1 (0.46) HSD17B10KDM4EALDH1A1GAAKMT2A
SCHEMBL21199520 0.77 NOTUM (0.40) POLBHSD17B10KDM4EALDH1A1GAA
SCHEMBL21200490 0.77 SLC6A3 (0.39) HSD17B10KDM4EALDH1A1GAAKMT2A
SCHEMBL31160530 0.77 HPGD (0.41) POLBHSD17B10ALDH1A1GAAKMT2A
SCHEMBL23090012 0.77 HPGD (0.41) POLBHSD17B10ALDH1A1GAAKMT2A
SCHEMBL30900389 0.77 SLC6A3 (0.39) HSD17B10KDM4EALDH1A1GAAKMT2A

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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