SCHEMBL5519963

SCHEMBL5519963

Oc1ccc(C(F)(F)F)c(C(F)(F)F)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
PIK3CA P42336 1/20 0.33
CES2 O00748 1/20 0.32
PIM1 P11309 1/20 0.32
ADAMTS4 O75173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MMP8 P22894 1/20 0.32
CA6 P23280 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL7298664 0.85 KIF11 (0.38) KIF11CES2CA2ERN1AR
SCHEMBL30368138 0.85 KIF11 (0.38) KIF11CES2CA2ERN1AR
SCHEMBL23542366 0.85 ALDH1A1 (0.42) ALDH1A1CA1CA2LMNAHPGD
SCHEMBL4542512 0.83 KIF11 (0.36) KIF11HSD17B1HSD17B2CES2CA2
SCHEMBL30368280 0.83 KIF11 (0.36) KIF11HSD17B1HSD17B2CES2CA2
SCHEMBL27846971 0.82 PIM1 (0.36) KIF11PIK3CAPIM1ADAMTS4ALDH1A1
SCHEMBL5515481 0.81 KIF11 (0.35) KIF11HSD17B1HSD17B2PIK3CACES2
SCHEMBL5508293 0.77 GLA (0.34) KIF11HSD17B1HSD17B2CES2ALDH1A1
SCHEMBL9367573 0.77 KIF11 (0.33) KIF11HSD17B1HSD17B2CES2TMPRSS4
SCHEMBL17341736 0.77 PIM1 (0.43) KIF11HSD17B1HSD17B2PIK3CACES2

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