SCHEMBL11097076

SCHEMBL11097076

CC1COCC(C)N1c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 5/20 0.46
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11108040 0.85 HTT (0.60) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11100872 0.79 MYC (0.52) ALDH1A1SMN1; SMN2MAPTLMNATP53
SCHEMBL1591440 0.78 ALDH1A1 (0.62) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6894325 0.77 ALDH1A1 (0.71) HTTALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1672017 0.75 HTT (1.00) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11105710 0.75 HTT (0.73) HTTALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11161561 0.75 HTT (0.73) HTTALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1672019 0.75 HTT (0.65) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1811947 0.75 SMN1; SMN2 (0.76) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1671812 0.74 HTT (0.79) HTTALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed