SCHEMBL11110091

SCHEMBL11110091

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
ESR1 P03372 1/20 0.49
CYP19A1 P11511 1/20 0.49
ESR2 Q92731 1/20 0.49
CES1 P23141 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11110090 1.00 MAPK1 (0.54) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL478613 0.84 CES1 (0.61) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL23747775 0.83 MAPT (0.64) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6659596 0.82 GAA (0.65) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6659591 0.82 GAA (0.65) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL11568780 0.81 MAPT (0.51) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL4478597 0.81 CES1 (0.58) MAPK1MAPTKMT2AMEN1ALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.80 KCNJ1 (0.68) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL15379288 0.80 GSK3B (0.53) MAPK1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28435357 0.80 MAPT (0.50) MAPK1MAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 US disclosed
US-4331683-A SENSITIZATION, ANTIALLERGENS PFIZER INC. (US) 1982-05-25 US disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 EP disclosed
US-4296120-A ANTIANAPHYLACTIC PFIZER INC. (US) 1981-10-20 US disclosed
US-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 US disclosed