SCHEMBL31273247

SCHEMBL31273247

CC(C)c1cc2[nH]c(=O)c(C(=O)O)cc2cc1F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 6/20 0.68
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ HTT P42858 1/20 0.35
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TSHR P16473 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
SCHEMBL31273874 0.85 EIF4A3 (0.56) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL8828102 0.83 KDM4E (0.53) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL31273240 0.82 EIF4A3 (0.52) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL31273523 0.74 EIF4A3 (0.66) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL3661193 0.74 KDM4E (0.61) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL8828077 0.73 KDM4E (0.58) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL31423132 0.73 KDM4E (0.44) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL5780183 0.71 EIF4A3 (0.69) EIF4A3KDM4EALDH1A1GAAPOLB
Acetone SCHEMBL4957341 0.71 KDM4E (0.58) EIF4A3KDM4EALDH1A1GAAPOLB
SCHEMBL31422970 0.71 KDM4E (0.42) EIF4A3KDM4EALDH1A1GAAPOLB

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-119101045-A Nitrogen-containing heterocyclic compounds, and preparation method and application thereof 上海宇道生物技术有限公司 2024-12-10 — — CN disclosed
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