SCHEMBL11866585

SCHEMBL11866585

CCCCCC(=O)CCC1C=CC(=O)C1CCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.44
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ NR4A2 P43354 2/20 0.37
▸ DGKA P23743 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NR4A1 P22736 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ UCHL3 P15374 1/20 0.33
▸ PAM P19021 2/20 0.33
▸ CYP4F2 P78329 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
SCHEMBL11866575 1.00 DNTT (0.44) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11867322 0.94 PPARG (0.46) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11867328 0.94 PPARG (0.46) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11866149 0.93 PPARG (0.48) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11866141 0.93 PPARG (0.48) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL15623626 0.85 ALDH1A1 (0.37) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11866489 0.83 DNTT (0.50) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11866493 0.83 DNTT (0.50) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11869680 0.82 TRPA1 (0.42) DNTTPPARGPPARDPPARAALDH1A1
SCHEMBL11869689 0.82 TRPA1 (0.42) DNTTPPARGPPARDPPARAALDH1A1

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-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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