SCHEMBL28680697

SCHEMBL28680697

COC(=O)Cc1cc(Br)c(OC)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.56
THRB P10828 6/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
THRA P10827 5/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
TPMT P51580 1/20 0.42
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LMNA P02545 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
SCHEMBL26623841 0.89 HSP90AB1 (0.49) HSP90AB1THRBHSD17B10TSHRALOX15
SCHEMBL31075734 0.89 HSP90AB1 (0.49) HSP90AB1THRBMAPTHPGDHSD17B10
SCHEMBL2786552 0.83 HSP90AB1 (0.63) HSP90AB1THRBMAPTHPGDTSHR
SCHEMBL7220499 0.83 THRB (0.69) THRBHSD17B10TSHRALOX15THRA
SCHEMBL12678868 0.83 HSP90AB1 (0.58) HSP90AB1THRBMAPTHPGDTSHR
SCHEMBL5283381 0.82 THRA (0.52) HSP90AB1THRBTHRA
SCHEMBL5282025 0.82 THRB (0.52) HSP90AB1THRBTHRAALDH1A1HTT
SCHEMBL7220264 0.81 THRB (0.53) THRBMAPTHPGDHSD17B10TSHR
SCHEMBL7350954 0.81 HSP90AB1 (0.56) HSP90AB1THRBMAPTHPGDTSHR
SCHEMBL30393854 0.81 HSP90AB1 (0.56) HSP90AB1THRBMAPTHPGDHSD17B10

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-113943229-B Synthesis of alkaloid pulmonarin B and application of alkaloid pulmonarin B in prevention and treatment of plant virus and germ diseases 天津师范大学 2025-02-07 CN disclosed
CN-113943229-A Synthesis of alkaloid pulmonarinn B and application of alkaloid pulmonarinn B in prevention and treatment of plant viruses and bacterial diseases 天津师范大学 2022-01-18 CN disclosed