SCHEMBL5507627

SCHEMBL5507627

Nc1cc(F)cc2c(O)c(F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CA9 Q16790 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ERN1 O75460 2/20 0.34
HPRT1 P00492 1/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL5510158 0.79 CA9 (0.48) CA9CA3CA6CA5ACA14
SCHEMBL5513879 0.79 ALDH1A1 (0.38) ALDH1A1HPRT1HDAC1
SCHEMBL5516180 0.76 HSD17B1 (0.33) ALDH1A1CA9ERN1CA12CA1
SCHEMBL5513042 0.73 ALDH1A1 (0.54) PKMALDH1A1ERN1HPGDALOX15
SCHEMBL5513985 0.72 ERN1 (0.42) ALDH1A1CA9CA3CA6CA5A
Hydrochloric Acid SCHEMBL20498005 0.72 ALDH1A1 (0.52) PKMALDH1A1ERN1HPGDHSD17B10
SCHEMBL5513036 0.72 IDO1 (0.33) ALDH1A1HPRT1
SCHEMBL5518761 0.72 IDO1 (0.35) ALDH1A1CA9CA3CA6CA5A
SCHEMBL20961536 0.71 ALDH1A1 (0.44) PKMALDH1A1HPRT1HPGDHSD17B10
SCHEMBL6568133 0.71 CA3 (0.48) CA9CA3CA6CA5ACA14

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