SCHEMBL8941399

SCHEMBL8941399

CC(C1CC(c2ccc(OCc3ccccc3)cc2)=NO1)N(O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ALOX5 P09917 3/20 0.54
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL8941414 0.79 F10 (0.42) ALOX5LMNASMN1; SMN2
SCHEMBL8941420 0.79 MIF (0.38) CA1CA2ALOX5LMNA
SCHEMBL8941438 0.79 POLB (0.50) LMNASMN1; SMN2MEN1TSHRKMT2A
SCHEMBL8941751 0.78 ALOX5 (0.53) ALOX5LMNASMN1; SMN2TSHR
SCHEMBL27324486 0.76 CA1 (0.76) CA1CA2ITGB3ITGA2BLMNA
SCHEMBL9379807 0.73 ALOX5 (0.61) ALOX5PARP10
SCHEMBL9379802 0.73 ALOX5 (0.61) ALOX5PARP10
SCHEMBL8933773 0.71 ALOX5 (1.00) ALOX5PARP10
Ammonia Solution, Strong SCHEMBL9473339 0.70 ALOX5 (0.97) ALOX5PARP10
SCHEMBL9474724 0.70 ALOX5 (0.97) ALOX5PARP10

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-5552424-A Isoxazolines as antiinflammatory agents PFIZER INC. (US) 1996-09-03 US disclosed