SCHEMBL9117601

SCHEMBL9117601

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.46
TTR P02766 1/20 0.41
PTPN1 P18031 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
RGS12 O14924 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9116290 0.85 F11 (0.44) F11TTRPTPN1CA1CA2
SCHEMBL9476644 0.81 TTR (0.38) F11TTRPTPN1CA1CA2
SCHEMBL9117001 0.79 HSP90AB1 (0.43) F11PTPN1HSD17B10KDM4EGAA
SCHEMBL9478488 0.78 CYP1A2 (0.43) TTRCA1CA2POLBBLM
SCHEMBL2789591 0.75 GAA (0.42) F11CA2HSD17B10TSHRHIF1A
SCHEMBL9235372 0.73 CA2 (0.42) F11PTPN1CA1CA2CA4
SCHEMBL6659568 0.72 TTR (0.39) F11TTRPTPN1CA1CA2
SCHEMBL5858355 0.71 THRB (0.56) TTRPTPN1CA2HSD17B10TSHR
SCHEMBL28118607 0.71 GAA (0.52) PTPN1CA2HSD17B10TSHRHIF1A
SCHEMBL29835994 0.70 TTR (0.38) TTRPTPN1HSD17B10TSHRHIF1A

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