SCHEMBL8773094

SCHEMBL8773094

O=C1C=C(Br)c2cc(Br)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.61
S100A4 P26447 2/20 0.56
BCL2 P10415 2/20 0.52
MCL1 Q07820 1/20 0.52
LCK P06239 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TGM2 P21980 1/20 0.41
METAP1 P53582 1/20 0.39
PTPN1 P18031 2/20 0.38
PTPRF P10586 1/20 0.38
CDC25B P30305 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL30978710 0.87 S100A4 (0.54) PTPRCS100A4BCL2MCL1CA1
SCHEMBL28845752 0.79 S100A4 (0.61) PTPRCS100A4BCL2MCL1LCK
SCHEMBL30363166 0.77 S100A4 (0.71) PTPRCS100A4BCL2MCL1LCK
SCHEMBL29594014 0.77 S100A4 (0.80) PTPRCS100A4BCL2MCL1LCK
SCHEMBL597375 0.77 S100A4 (0.80) PTPRCS100A4BCL2MCL1LCK
SCHEMBL12469932 0.77 S100A4 (0.71) PTPRCS100A4BCL2MCL1LCK
SCHEMBL762135 0.77 S100A4 (0.80) PTPRCS100A4BCL2MCL1LCK
SCHEMBL3717374 0.77 S100A4 (0.80) PTPRCS100A4BCL2MCL1LCK
SCHEMBL29664078 0.77 S100A4 (0.80) PTPRCS100A4BCL2MCL1LCK
SCHEMBL9515141 0.76 BCL2 (0.49) PTPRCS100A4BCL2MCL1LCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439585-B1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS MAG GEORG MAYRHOFER & CO OHG (AT) 1997-10-29 EP disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 WO disclosed