SCHEMBL6550840

SCHEMBL6550840

CCC(=O)c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.58
ENPP1 P22413 7/20 0.58
ENPP2 Q13822 4/20 0.58
HSD11B1 P28845 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
PTPN1 P18031 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GSK3B P49841 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL4330199 0.86 PTPN1 (0.65) ENPP3ENPP1ENPP2HSD11B1MEN1
SCHEMBL13578657 0.86 ENPP3 (0.58) ENPP3ENPP1ENPP2HSD11B1MEN1
SCHEMBL13578628 0.85 MEN1 (0.63) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL26162976 0.83 ENPP3 (0.63) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL478183 0.81 PTPN1 (0.66) HSD11B1ALDH1A1MAPTPTPN1GSK3B
SCHEMBL6937368 0.78 CA2 (0.54) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL6549310 0.78 CA2 (0.54) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL6306030 0.78 ENPP3 (0.56) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL2065585 0.76 CA1 (0.56) ENPP3ENPP1ENPP2MEN1KMT2A
SCHEMBL2269889 0.76 MAPT (0.61) HSD11B1ALDH1A1MAPTPTPN1GSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789279-B2 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2004-12-08 EP disclosed
EP-0789279-B1 Polymer and resist material WAKO PURE CHEM IND LTD (JP) 2001-03-21 EP disclosed
US-6033826-A POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0789279-A1 Polymer and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-08-13 EP disclosed