SCHEMBL8914982

SCHEMBL8914982

CCCCCC1=CC(=O)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
PTPN1 P18031 5/20 0.37
ACP1 P24666 3/20 0.37
CDC25B P30305 3/20 0.37
GPR84 Q9NQS5 1/20 0.35
ALOX5 P09917 6/20 0.34

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
SCHEMBL5565195 0.76 TDP1 (0.43) TDP1L3MBTL1PPARGMAPTMEN1
SCHEMBL7140999 0.74 CPT1A (0.34) TDP1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3752952 0.67 TDP1 (0.41) TDP1L3MBTL1PPARGMAPTPTPN1
SCHEMBL7153573 0.67 PTPN1 (0.39) ACHEBACE1PTPN1CDC25BGPR84
SCHEMBL3239526 0.66 ACHE (0.43) TDP1L3MBTL1PPARGACHEBACE1
SCHEMBL861873 0.64
SCHEMBL11156027 0.63 ACHE (0.37) TDP1MAPTMEN1KMT2AACHE
SCHEMBL1468241 0.63 ACHE (0.37) TDP1MAPTMEN1KMT2AACHE
SCHEMBL7142903 0.63 CDC25B (0.37) TDP1PPARGMAPTMEN1KMT2A
SCHEMBL2550550 0.62 TSHR (0.42) MAPTMEN1KMT2AACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698585-A FOR SENILE CATARACT CAUSED BY OXIDATION DISORDER; VISION DEFECTS KIKKOMAN CORPORATION (JP) 1997-12-16 US disclosed
US-5648550-A Beta-keto-alcohols and the process for the manufacture thereof ROCHE VITAMINS INC. (US) 1997-07-15 US disclosed
EP-0737476-A2 A pharmaceutical preparation containing a 3-(2H)-furanone derivative for prevention and/or treatment of cataracts KIKKOMAN CORPORATION (JP) 1996-10-16 EP disclosed