SCHEMBL5515643

SCHEMBL5515643

Oc1cc(F)cc2c(NC(F)(F)F)ccc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HTT P42858 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL5512080 0.80 IDO1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL5516157 0.77 RET (0.30)
SCHEMBL5514243 0.75 IDO1 (0.38) CA3CA6CA5ACA9CA14
SCHEMBL5511592 0.75 CA9 (0.48) CA3CA6CA5ACA9CA14
SCHEMBL5513205 0.75
SCHEMBL5513683 0.74 TMPRSS4 (0.31) CA3CA6CA5ACA9CA14
SCHEMBL5513484 0.72 CA3 (0.31) CA3CA6CA5ACA9CA14
SCHEMBL5512084 0.70 CA6 (0.43) CA3CA6CA5ACA9CA14
SCHEMBL5507012 0.69 MAPT (0.42) HTTIDO1
SCHEMBL5522062 0.66 CA9 (0.37) CA3CA6CA5ACA9CA14

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed