SCHEMBL6232080

SCHEMBL6232080

CCCc1c(O)c(O)cc(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.39
PTPN1 P18031 4/20 0.38
ALOX5 P09917 4/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6252632 0.89 NPC1 (0.48) PTPN1ALOX5NPC1HPGDMAPK1
SCHEMBL5587159 0.74 PTPN1 (0.50) PGAM1PTPN1ALOX5CA1CA2
SCHEMBL18371594 0.74 HPGD (0.39) PGAM1PTPN1NPC1HPGDMAPK1
SCHEMBL6232640 0.73 CNR1 (0.39) PGAM1HPGDCNR1CNR2ALOX15
SCHEMBL28871536 0.73 CNR1 (0.39) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL19729139 0.73 PTPN1 (0.38) PGAM1PTPN1ALOX5CA1CA2
SCHEMBL6232082 0.73 TSHR (0.36) ALOX5HTT
SCHEMBL5678564 0.72 HTT (0.47) PTPN1ALOX5CA1CA2CA4
SCHEMBL5589047 0.71 HMGCR (0.42) PGAM1PTPN1ALOX5NPC1HPGD
SCHEMBL5678265 0.71 ALOX5 (0.43) PGAM1ALOX5NPC1HPGDMAPK1

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed