SCHEMBL11680950

SCHEMBL11680950

C#CCOc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 5/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
ALPG P10696 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL11679092 0.86 ALDH1A1 (0.45) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL6990630 0.82 LMNA (0.58) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL28653862 0.82 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL28653864 0.82 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL10410167 0.80 CTSV (0.59) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL7984258 0.79 GAA (0.45) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL2976612 0.79 GAA (0.60) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL2976618 0.79 GAA (0.60) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL11684161 0.79 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL11680122 0.79 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US claimed
US-4016193-A ANALGESICS, ANTIINFLAMMATORY AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1977-04-05 US disclosed