SCHEMBL11099375

SCHEMBL11099375

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
TDP1 Q9NUW8 2/20 0.62
CES1 P23141 2/20 0.59
ESR1 P03372 1/20 0.57
CYP19A1 P11511 1/20 0.57
ESR2 Q92731 1/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CES2 O00748 1/20 0.56
SRD5A2 P31213 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GSK3B P49841 1/20 0.50

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
SCHEMBL11099376 1.00 MAPK1 (0.66) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL11105844 0.83 MAPK1 (0.63) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL11105826 0.83 MAPK1 (0.63) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL11025481 0.81 ESR1 (0.57) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL13370393 0.81 ESR1 (0.57) MAPK1TDP1CES1ESR1CYP19A1
Acetic Acid SCHEMBL27877969 0.81 MAPK1 (0.71) MAPK1TDP1CES1CA1CA2
Acetic Acid SCHEMBL28719519 0.80 MAPK1 (0.92) MAPK1TDP1CES1CA1CA2
SCHEMBL23727567 0.80 MAPK1 (0.54) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL8726612 0.79 MAPK1 (0.69) MAPK1TDP1CES1ESR1CYP19A1
SCHEMBL27765 0.79 MAPK1 (1.00) MAPK1TDP1CES1CA1CA2

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-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 US disclosed
US-4296120-A ANTIANAPHYLACTIC PFIZER INC. (US) 1981-10-20 US disclosed