SCHEMBL24445908

SCHEMBL24445908

COC(=O)c1cc(O)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.44
XDH P47989 2/20 0.44
POLB P06746 2/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL1994444 0.83 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL8870759 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL25858540 0.81 GAA (0.50) CA12CA1CA2CA7CA9
SCHEMBL1860220 0.80 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL25858541 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL30881900 0.79 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8979022 0.78 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL30417663 0.78 GAA (0.49) CA12CA1CA2CA7CA9
SCHEMBL31502301 0.78 SOS1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL30417711 0.78 KDM4E (0.50) CA12CA1CA2CA7CA9

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-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed