SCHEMBL9729530

SCHEMBL9729530

COc1ccc2c(c1)OCC(C=O)=C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
NR1H4 Q96RI1 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
MAOB P27338 4/20 0.46
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL31544361 1.00 ALOX5 (0.54) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL10310537 0.89 PTGS1 (0.46) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL8627404 0.88 MAOB (0.57) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL10088476 0.85 PTGS1 (0.44) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL2328053 0.85 ALOX5 (0.41) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL10088425 0.83 CA2 (0.45) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL10088438 0.80 PARP10 (0.43) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL2323839 0.78 STS (0.39) ALOX5NR1H4PTGS1PTGS2MAOB
SCHEMBL10088453 0.78 NPC1 (0.54) ALOX5MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL14712977 0.77 ALOX5 (0.50) ALOX5NR1H4PTGS1PTGS2MAOB

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-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed