SCHEMBL11837933

SCHEMBL11837933

CC(CC(O)C(=O)O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ MMP7 P09237 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ AKR1C3 P42330 4/20 0.49
▸ AKR1C2 P52895 4/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL11835910 0.80 ADAMTS4 (0.55) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL11832975 0.79 MMP2 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL11827700 0.79 FFAR1 (0.46) MMP1MMP2MMP3MMP7MMP9
SCHEMBL11824409 0.78 ADAMTS4 (0.46) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL11857853 0.77 MEN1 (0.57) MMP1MMP2MMP3MMP7MMP9
SCHEMBL11829363 0.76 USP5 (0.44) AKR1C3AKR1C2NPC1POLBMAPK1
SCHEMBL3714135 0.75 FFAR1 (0.53) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5690769 0.75 FFAR1 (0.53) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3540946 0.75 POLB (0.54) MMP1MMP2MMP3MMP7MMP9
SCHEMBL5475206 0.74 TRPA1 (0.55) MAPK1LMNA

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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