SCHEMBL28889136

SCHEMBL28889136

O=C(Cc1ccc(C2(C(F)(F)F)C=N2)cc1)OCCc1ccc(C2(C(F)(F)F)C=N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.43
ALOX5 P09917 1/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
CYP19A1 P11511 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
APP P05067 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PAM P19021 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
SCHEMBL24862423 0.93 YWHAG (0.39) YWHAGALOX5PPARGPPARACYP19A1
SCHEMBL17600534 0.82 YWHAG (0.44) YWHAGALOX5PPARGPPARACYP19A1
SCHEMBL17625655 0.80 YWHAG (0.44) YWHAGALOX5PPARGPPARACYP19A1
SCHEMBL24862625 0.79 CA1 (0.30) CA1CA2
SCHEMBL28396049 0.78 POLB (0.40)
SCHEMBL19399246 0.76 YWHAG (0.39) YWHAGALOX5PPARGPPARACYP19A1
SCHEMBL24862812 0.76 PTPN2 (0.35) ALDH1A1L3MBTL1TDP1
SCHEMBL17625232 0.74 YWHAG (0.48) YWHAGALOX5PPARGPPARACYP19A1
SCHEMBL28400806 0.74 FFAR1 (0.40) PPARGALDH1A1MAPK1
SCHEMBL24862586 0.72 KIF11 (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715399-B Diazacyclopropene compounds as photocrosslinkers and photoimageable compositions containing the same 住友电木株式会社 2020-05-19 CN disclosed