SCHEMBL7744296

SCHEMBL7744296

CC(=O)Oc1ccc(C=O)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
AOX1 Q06278 1/20 0.46
TSHR P16473 2/20 0.46
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 2/20 0.41
VCP P55072 1/20 0.41
CFD P00746 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL22991600 0.85 JUN (0.44) ALDH1A1TSHRJUNNFKB1KDM4E
SCHEMBL320559 0.84 JUN (0.57) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL31190039 0.84 JUN (0.57) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL17025841 0.81 ALDH1A1 (0.66) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL2390994 0.81 ALDH1A1 (0.47) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL871742 0.79 ALDH1A1 (0.70) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL2391067 0.79 ALDH1A1 (0.55) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL81717 0.79 ALDH1A1 (0.70) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL28603349 0.79 ALDH1A1 (0.46) ALDH1A1AOX1TSHRJUNNFKB1
SCHEMBL29738486 0.79 ALDH1A1 (0.70) ALDH1A1AOX1TSHRJUNNFKB1

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
WO-2001001977-A1 METHODS FOR CONTROLLING FUNGAL PATHOGENS SUMMUS GROUP LTD. (US) 2001-01-11 WO claimed
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