SCHEMBL11764825

SCHEMBL11764825

CCCCCCOC1C=CC(=O)C(CC)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
GBA1 P04062 2/20 0.37
DNTT P04053 1/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
NLRP3 Q96P20 1/20 0.30
PRKCA P17252 1/20 0.30
MGLL Q99685 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
EPHX2 P34913 1/20 0.30
RECQL P46063 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL10563094 1.00 PPARG (0.42) PPARGPPARDPPARAGBA1DNTT
SCHEMBL11763240 0.98 PPARG (0.40) PPARGPPARDPPARAGBA1DNTT
SCHEMBL11763379 0.94 PPARG (0.36) PPARGPPARDPPARADNTT
SCHEMBL10559876 0.90 PPARG (0.47) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10561194 0.90 PPARG (0.44) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10562939 0.90 PPARG (0.47) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10564673 0.90 PPARG (0.44) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10561484 0.90 PPARG (0.44) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10559585 0.90 PPARG (0.44) PPARGPPARDPPARAGBA1DNTT
SCHEMBL10558947 0.86 PPARG (0.39) PPARGPPARDPPARAGBA1DNTT

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-4059595-A Process for preparing 3-oxy-4H-pyran-4-one derivatives OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHI (JA) 1977-11-22 US disclosed