SCHEMBL9729599

SCHEMBL9729599

CN(O)C(=O)C1=Cc2ccccc2OC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 1.00
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAOB P27338 4/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOA P21397 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.47
PKM P14618 1/20 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
SCHEMBL9058393 0.80 ALOX5 (0.67) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL9729757 0.79 ALOX5 (0.72) ALOX5
SCHEMBL16397645 0.78 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL212724 0.78 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL9729918 0.77 ALOX5 (1.00) ALOX5SMN1; SMN2NPC1RAB9AMAOB
Hydrochloric Acid SCHEMBL23532714 0.77 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL2154729 0.77 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL31560392 0.77 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAOB
Hydrochloric Acid SCHEMBL5770308 0.77 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL545827 0.77 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed