SCHEMBL9235372

SCHEMBL9235372

O=C(O)Cc1c(O)c(Br)c(Br)c(O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
CA4 P22748 4/20 0.42
CA6 P23280 4/20 0.42
PTPN1 P18031 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
DRD4 P21917 2/20 0.41
MAOA P21397 1/20 0.38
DRD3 P35462 1/20 0.38
AKR1B1 P15121 4/20 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
SCHEMBL11803971 0.73 AKR1B1 (0.44) CA2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9117601 0.73 F11 (0.46) CA2CA1CA4CA6PTPN1
SCHEMBL30940421 0.71 AKR1B1 (0.42) CA2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9476644 0.70 TTR (0.38) CA2CA1CA4CA6PTPN1
SCHEMBL2789591 0.70 GAA (0.42) CA2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9241452 0.66 PTPN1 (0.52) CA2CA1CA4CA6PTPN1
SCHEMBL48572 0.66 ALDH1A1 (0.90) CA2CA1CA4CA6PTPN1
SCHEMBL4697289 0.62 AKR1B1 (0.36) CA2CSNK2A2CSNK2BCSNK2A1CSNK2A3
Pentabromophenol SCHEMBL268325 0.62 ALOX15 (1.00) CA2CA1CA4CA6PTPN1
SCHEMBL8642649 0.62 CA1 (0.82) CA2CA1CA4CA6PTPN1

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-1995025712-A1 HOMOGENTISIC ACID DERIVATIVES, METHODS OF TREATMENT OF DISEASE STATES MEDIATED BY PROTEIN KINASE C USING HOMOGENTISIC ACID DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1995-09-28 WO disclosed