SCHEMBL29958283

SCHEMBL29958283

Nc1ccc(C=O)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ TSHR P16473 1/20 0.43
▸ APP P05067 7/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH5A1 P51649 1/20 0.40
▸ ABAT P80404 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ FDPS P14324 1/20 0.38
▸ AOX1 Q06278 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A3 P47895 1/20 0.34
▸ KIF11 P52732 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
SCHEMBL15664456 0.86 ALDH1A1 (0.43) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL3621190 0.80 ALDH1A1 (0.44) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL2094282 0.79 ALDH1A1 (0.47) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL30203126 0.79 APP (0.63) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL5073125 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL670107 0.79 ALDH1A1 (0.52) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL856737 0.79 APP (0.63) ALDH1A1TSHRAPPTRIM24HPGD
SCHEMBL2714465 0.77 ALDH1A1 (0.70) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL18239636 0.77 ALDH1A1 (0.70) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL30049249 0.77 ALDH1A1 (0.70) ALDH1A1TSHRTRIM24HPGDALDH5A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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