SCHEMBL27429047

SCHEMBL27429047

CC(=O)Oc1cc(C=O)cc(OC(C)=O)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
TNFSF11 O14788 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
VCP P55072 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37

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
SCHEMBL24110771 0.93 JUN (0.48) FNTAFNTBJUNNFKB1TNFSF11
SCHEMBL22991412 0.83 JUN (0.41) JUNNFKB1TNFSF11ALDH1A1KDM4E
SCHEMBL2939004 0.82 FNTA (0.55) FNTAFNTBJUNNFKB1TNFSF11
SCHEMBL13168497 0.82 FNTA (0.49) FNTAFNTBJUNNFKB1TNFSF11
SCHEMBL27426721 0.80 ELANE (0.41) ALDH1A1HPGDTRIM24ALDH5A1ABAT
SCHEMBL27426728 0.78 ELANE (0.39) FNTAFNTBALDH1A1KDM4ETSHR
SCHEMBL31190039 0.77 JUN (0.57) FNTAFNTBJUNNFKB1ALDH1A1
SCHEMBL320559 0.77 JUN (0.57) FNTAFNTBJUNNFKB1ALDH1A1
SCHEMBL23559320 0.77 FNTA (0.43) FNTAFNTBKDM4EGAATUBB4A
SCHEMBL294264 0.77 FNTA (0.50) FNTAFNTBJUNNFKB1ALDH1A1

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
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 WO disclosed