SCHEMBL28646147

SCHEMBL28646147

COC1=C2C(=Cc3cc(Br)ccc32)C(=O)C(Br)=C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPRC P08575 1/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
PTPN1 P18031 1/20 0.31
BRD4 O60885 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALKBH3 Q96Q83 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
SCHEMBL28639281 0.80 PTPN1 (0.38) PTPN1GAAALDH1A1
SCHEMBL28641667 0.79 GAA (0.33) GAAALDH1A1
SCHEMBL27781314 0.73 S100A4 (0.40) S100A4PTPRCBCL2MCL1
SCHEMBL39701 0.69 S100A4 (0.42) S100A4PTPRCBCL2MCL1
SCHEMBL8773161 0.69 S100A4 (0.56) S100A4PTPRCBCL2MCL1
SCHEMBL1500033 0.64 S100A4 (0.48) S100A4PTPRCBCL2MCL1GAA
SCHEMBL31619922 0.64 S100A4 (0.48) S100A4PTPRCBCL2MCL1GAA
SCHEMBL8221232 0.64 PTPN1 (0.46) ALOX5PTGS2PTPN1GAAALDH1A1
SCHEMBL9642629 0.61 PTPRC (0.62) S100A4PTPRCBCL2MCL1PTPN1
SCHEMBL31557620 0.61 S100A4 (0.44) S100A4PTPRCBCL2MCL1

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-113387779-A Synthesis and preparation method of fluorenyl compound with 4-position substituent 南京工业大学 2021-09-14 CN disclosed