SCHEMBL5517876

SCHEMBL5517876

CNc1cc(F)c(O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
VRK1 Q99986 1/20 0.35
RPS6KA3 P51812 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL5517867 0.78 RAPGEF4 (0.35) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL1637217 0.78 RAPGEF4 (0.46)
SCHEMBL5511479 0.78 SELL (0.48) XDHALDH1A1TP53CYP3A4THRB
SCHEMBL5518604 0.76 RAPGEF4 (0.35) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL5516191 0.76 HDAC1 (0.41) ALDH1A1
SCHEMBL25082732 0.74 KCNH2 (0.34)
SCHEMBL5515615 0.74 HDAC1 (0.40) ADRB2ADRB1
SCHEMBL5510318 0.74 TSHR (0.32)
SCHEMBL1487928 0.73 TNIK (0.41) ESR1ESR2ALDH1A1TP53CYP3A4
SCHEMBL25695772 0.73 HPGD (0.38) ALDH1A1CYP3A4THRBHPGD

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