SCHEMBL11833643

SCHEMBL11833643

CC(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)C(O)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ADAMTS4 O75173 1/20 0.49
▸ CYP1A2 P05177 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FFAR1 O14842 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ APP P05067 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ACHE P22303 1/20 0.36

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
SCHEMBL11827104 0.86 ALDH1A1 (0.43) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11827192 0.80 NPC1 (0.46) ALDH1A1FFAR1LMNAMAPTMEN1
SCHEMBL14494913 0.80 ALDH1A1 (0.61) ALDH1A1TDP1ADAMTS4CYP1A2LMNA
SCHEMBL11827794 0.79 ALDH1A1 (0.43) ALDH1A1FFAR1
SCHEMBL11828611 0.79 MME (0.47) FFAR1
SCHEMBL11672909 0.79 ALDH1A1 (0.60) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11835910 0.78 ADAMTS4 (0.55) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11842494 0.77 ALDH1A1 (0.62) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11757234 0.77 ALDH1A1 (0.54) ALDH1A1TDP1ADAMTS4CYP1A2TSHR
SCHEMBL11830412 0.77 ALDH1A1 (0.54) ALDH1A1TDP1ADAMTS4CYP1A2TSHR

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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