SCHEMBL5517867

SCHEMBL5517867

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1A P35348 1/20 0.32
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
RECQL P46063 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 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
SCHEMBL1637217 0.83 RAPGEF4 (0.46) RAPGEF4CES2CES1
SCHEMBL5517876 0.78 MEP1B (0.37) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL5511479 0.78 SELL (0.48) ADRA2AADRA2BADRA2CALDH1A1TP53
SCHEMBL5515978 0.74 RAPGEF4 (0.36) RAPGEF4
SCHEMBL14528479 0.74 RAPGEF4 (0.45) RAPGEF4
SCHEMBL5508450 0.74
SCHEMBL2435905 0.74 RARA (0.43) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL5517348 0.73 ADRA2A (0.36) RAPGEF4ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1487928 0.73 TNIK (0.41) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL5513274 0.73 RAPGEF4 (0.35) RAPGEF4ALDH1A1

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