SCHEMBL9064155

SCHEMBL9064155

O=C(O)c1cc(O)cc(O)c1CC(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PTGS2 P35354 3/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
PTPN1 P18031 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TNF P01375 1/20 0.35
HSPD1 P10809 1/20 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
SCHEMBL39025 0.76 CA12 (0.45) CA1CA2ALDH1A1CA12CA7
SCHEMBL3392969 0.76 CA2 (0.45) CA1CA2ALDH1A1CA12CA7
SCHEMBL39033 0.73 PTPN1 (0.54) CA1CA2ALDH1A1CA12CA7
SCHEMBL39761 0.71 CA12 (0.41) CA1CA2ALDH1A1CA12CA7
SCHEMBL39571 0.70 KAT8 (0.50) CYP3A4KDM4EPTPN1HPGDACHE
SCHEMBL22660353 0.70 CA12 (0.40) CA1CA2ALDH1A1CA12CA7
SCHEMBL5225102 0.69 CA1 (0.50) CA1CA2ALDH1A1CA12CA7
Grevillol SCHEMBL31345744 0.68 KAT8 (0.59) PTGS2ALOX5TSHRCYP3A4KDM4E
SCHEMBL29421908 0.68 CA12 (0.60) CA1CA2ALDH1A1CA12CA7
SCHEMBL907550 0.68 CA12 (0.60) CA1CA2ALDH1A1CA12CA7

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
EP-0703491-A1 A photographic silver halide material comprising a dendrimeric latex AGFA-GEVAERT N.V. (BE) 1996-03-27 EP disclosed