SCHEMBL11835155

SCHEMBL11835155

CCOC(=O)C(Cl)CCc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 12/20 0.42
▸ CD274 Q9NZQ7 12/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PPARG P37231 4/20 0.39

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
SCHEMBL11829891 0.87 HRH2 (0.46) L3MBTL1ALDH1A1TDP1
SCHEMBL11832023 0.86 ALDH1A1 (0.44) PDCD1CD274ALDH1A1TDP1
SCHEMBL11834253 0.83 CSNK2A1 (0.46) PDCD1CD274
SCHEMBL11829788 0.80 PDCD1 (0.40) PDCD1CD274ALDH1A1TDP1PPARG
SCHEMBL11827662 0.78 MMP12 (0.56) L3MBTL1
SCHEMBL11826299 0.78 ALDH1A1 (0.45) PDCD1CD274ALDH1A1TDP1
SCHEMBL11823599 0.76 MAPT (0.38) ALDH1A1
SCHEMBL11829659 0.76 MAPT (0.48) L3MBTL1ALDH1A1
SCHEMBL11827539 0.75 PTPN1 (0.42) L3MBTL1ALDH1A1TDP1PPARG
SCHEMBL27559990 0.75 FFAR1 (0.53) PDCD1CD274ALDH1A1TDP1

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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