SCHEMBL9779352

SCHEMBL9779352

O=C(O)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(=O)O)c(C(=O)O)c4)cc3)(c3ccccc3I)C(F)(F)F)cc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
TDP1 Q9NUW8 4/20 0.44
LMNA P02545 1/20 0.44
PYGL P06737 7/20 0.42
PYGM P11217 6/20 0.42
HPSE Q9Y251 1/20 0.42
GALK1 P51570 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.41
PLEC Q15149 1/20 0.41
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
IGF2BP2 Q9Y6M1 1/20 0.36

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
SCHEMBL8657209 0.86 POLB (0.58) POLBTDP1LMNAPYGLPYGM
SCHEMBL29404749 0.86 POLB (0.58) POLBTDP1LMNAPYGLPYGM
SCHEMBL29405914 0.76 POLB (0.55) POLBTDP1LMNAPYGLPYGM
SCHEMBL125376 0.76 POLB (0.55) POLBTDP1LMNAPYGLPYGM
SCHEMBL523943 0.76 POLB (0.58) POLBTDP1LMNAPYGLPYGM
SCHEMBL11338178 0.74 POLB (0.52) POLBTDP1LMNAPYGLPYGM
SCHEMBL8923122 0.74 POLB (0.52) POLBTDP1LMNAPYGLPYGM
SCHEMBL31525219 0.74 POLB (0.52) POLBTDP1LMNAPYGLPYGM
SCHEMBL30287662 0.74 POLB (0.77) POLBTDP1LMNAPYGLPYGM
SCHEMBL522949 0.74 POLB (0.77) POLBTDP1LMNAPYGLPYGM

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
US-5074891-A Using aromatic fluorine-containing polyimide HOECHST CELANESE CORP. (US) 1991-12-24 US disclosed
US-4954609-A CYCLIZED POLYAMIDE, NO ENDCAPPING HOECHST CELANESE CORP. (US) 1990-09-04 US disclosed