SCHEMBL5514261

SCHEMBL5514261

CC(C)(c1cc(F)c(N)c(F)c1)c1cc(F)c(N)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALOX5AP P20292 1/20 0.33
ADRB2 P07550 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL4827922 0.84 POLB (0.54) POLBALOX15ALDH1A1HPGDTSHR
SCHEMBL28024709 0.78 POLB (0.33) POLBHDAC1HDAC6ALOX5AP
SCHEMBL3947336 0.78 MEN1 (0.41) ALOX15ALDH1A1CYP3A4HPGDTSHR
SCHEMBL34472903 0.77 RAB9A (0.34) ALDH1A1TSHRRECQLALOX5APMAPK1
SCHEMBL3323506 0.76 TSHR (0.41) ALDH1A1TSHRHDAC1HDAC6MAPK1
SCHEMBL34472119 0.74 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4HPGDTSHR
SCHEMBL3949277 0.74 ALOX15 (0.46) ALOX15ALDH1A1CYP3A4HPGDTSHR
SCHEMBL3944248 0.74 ALOX15 (0.36) POLBALOX15ALDH1A1CYP3A4HPGD
SCHEMBL544725 0.74 ALOX15 (0.52) ALOX15ALDH1A1CYP3A4HPGDTSHR
SCHEMBL28024708 0.73 ALDH1A1 (0.35) ALDH1A1HDAC1ALOX5APMAPK1HTT

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