SCHEMBL5511786

SCHEMBL5511786

Nc1cc(O)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPK1 P28482 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
SCHEMBL392404 0.84 TSHR (0.52) TSHRGLAPOLBGAAKIF11
SCHEMBL5517782 0.78 GAA (0.34) TSHRGLAPOLBGAACA12
SCHEMBL29962894 0.77 TSHR (0.46) TSHRGLAPOLBGAAKIF11
SCHEMBL5508465 0.77 KIF11 (0.35) KIF11CA12CA1CA9ALDH1A1
SCHEMBL5511595 0.77 GAA (0.50) TSHRGLAPOLBGAAKIF11
SCHEMBL21490270 0.76 CES2 (0.39) KIF11ALDH1A1MCL1KDM4EKMT2A
SCHEMBL21490258 0.75 KDM4E (0.35) KIF11ALDH1A1MAPTMCL1KDM4E
SCHEMBL24616502 0.74 TSHR (0.43) TSHRGLAPOLBGAAKIF11
SCHEMBL5507098 0.74 GLA (0.34) TSHRGLAPOLBGAACA12
SCHEMBL5522959 0.74 GLA (0.34) TSHRGLAPOLBGAACA12

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