SCHEMBL9781077

SCHEMBL9781077

CC(/C=C/c1cccc(Oc2ccccc2)c1)=N\O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.65
▸ ALOX5 P09917 3/20 0.59
▸ PTGS1 P23219 2/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALOX5AP P20292 1/20 0.51
▸ KDM5A P29375 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TLR4 O00206 1/20 0.49
▸ TLR2 O60603 1/20 0.49
▸ EPOR P19235 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 2/20 0.46

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
SCHEMBL9781079 1.00 ALOX15 (0.65) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9781083 1.00 ALOX15 (0.65) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9514620 0.89 ALOX15 (0.50) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9781107 0.89 TRPA1 (0.59) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9781100 0.89 TRPA1 (0.59) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9514631 0.89 ALOX15 (0.50) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9514622 0.89 ALOX15 (0.50) ALOX15ALOX5PTGS1PTGS2SMN1; SMN2
SCHEMBL9781055 0.81 ALOX5 (0.70) ALOX5PTGS1PTGS2SMN1; SMN2NPC1
SCHEMBL9781059 0.81 ALOX5 (0.70) ALOX5PTGS1PTGS2SMN1; SMN2NPC1
SCHEMBL14667486 0.80 ALOX15 (1.00) ALOX15SMN1; SMN2NPC1RAB9AMEN1

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-4988733-A Also used in treatment of cardiovascular disorders and inflammation BURROUGHS WELLCOME CO. (US) 1991-01-29 — — US disclosed
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