SCHEMBL9696458

SCHEMBL9696458

CNC(=O)C(NO)C1COc2ccc(Oc3ccc(F)cc3)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.49
ALOX12 P18054 1/20 0.43
FFAR1 O14842 4/20 0.39
MTNR1A P48039 1/20 0.36
BRAF P15056 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9696463 0.71 ALOX5 (0.57) ALOX5ALOX12FFAR1MTNR1A
Formamide SCHEMBL9695887 0.68 ALOX5 (0.61) ALOX5FFAR1MTNR1A
SCHEMBL13696683 0.66 ALOX5 (1.00) ALOX5ALOX12FFAR1
SCHEMBL9695886 0.66 ALOX5 (1.00) ALOX5ALOX12FFAR1
SCHEMBL9741978 0.65 ALOX5 (1.00) ALOX5ALOX12
SCHEMBL9696268 0.62 ALOX5 (0.62) ALOX5MTNR1ANPC1RAB9A
SCHEMBL9490829 0.61 ALOX5 (0.40) ALOX5ALOX12
SCHEMBL9729665 0.60 ALOX5 (1.00) ALOX5ALOX12
SCHEMBL9694749 0.60 ALOX5 (0.65) ALOX5MTNR1A
SCHEMBL7791683 0.60 RAB9A (0.47) ALOX5NPC1RAB9AKMT2A

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
EP-0498770-A1 Certain benzodioxole, benzodioxane and benzodioxepin derivatives CIBA-GEIGY AG (CH) 1992-08-12 EP disclosed
US-5120758-A Treating allergic, inflammatory, cardiovascular, pulmonary, arthritic, cutaneous disorders CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed