SCHEMBL5509893

SCHEMBL5509893

Nc1ccc(F)c2c(O)c(F)c(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.35
HSD17B2 P37059 8/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 1/20 0.32
IDO1 P14902 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL27493965 0.82 ALDH1A1 (0.38) ALDH1A1CA6CA5ACA9CA14
SCHEMBL5507421 0.80 CA3 (0.37) HSD17B1HSD17B2IDO1CA3CA6
SCHEMBL5510015 0.80 ALDH1A1 (0.37) ALDH1A1CA6CA5ACA9CA14
SCHEMBL5511548 0.78 EP300 (0.35) ALDH1A1HDAC3IDO1EP300KAT2B
SCHEMBL5512084 0.73 CA6 (0.43) ALDH1A1HDAC3IDO1EP300KAT2B
SCHEMBL5515941 0.73 ALDH1A1 (0.44) HSD17B1HSD17B2ALDH1A1HDAC3IDO1
SCHEMBL5510148 0.73 IDO1 (0.38) ALDH1A1IDO1
SCHEMBL5508727 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL932188 0.72 ALDH1A1 (0.39) HSD17B1HSD17B2ALDH1A1HDAC3IDO1
SCHEMBL5508766 0.71 HSD17B1 (0.33) HSD17B1HSD17B2CA3CA6CA5A

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