SCHEMBL11823672

SCHEMBL11823672

CC(C(=O)O)C(O)Cc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 7/20 0.43
▸ CD274 Q9NZQ7 7/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.41
▸ APP P05067 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL11824795 0.86 ADAMTS4 (0.52) PDCD1CD274ALDH1A1TDP1ADAMTS4
SCHEMBL11827041 0.85 PDCD1 (0.43) PDCD1CD274ALDH1A1TDP1ADAMTS4
SCHEMBL11837906 0.80 ALDH1A1 (0.45) PDCD1CD274ALDH1A1TDP1
SCHEMBL11830281 0.80 CD274 (0.43) PDCD1CD274MEN1KMT2APTGS2
SCHEMBL11834506 0.80 CSNK2A1 (0.50) CD274
SCHEMBL11846449 0.79 ALDH1A1 (0.46) PDCD1CD274ALDH1A1TDP1APP
SCHEMBL9266029 0.78 ALDH1A1 (0.49) PDCD1CD274ALDH1A1TDP1
SCHEMBL11826299 0.78 ALDH1A1 (0.45) PDCD1CD274ALDH1A1TDP1
SCHEMBL3905288 0.77 ALDH1A1 (0.58) PDCD1CD274ALDH1A1TDP1
SCHEMBL11829977 0.77 ALDH1A1 (0.44) PDCD1CD274ALDH1A1TDP1MEN1

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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