SCHEMBL9696456

SCHEMBL9696456

OCC1COc2cc(Oc3ccccc3)ccc2O1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.65
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HTT P42858 1/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HTR1A P08908 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL9694749 0.94 ALOX5 (0.65) ALOX5ADRB2ADRB1ADRB3HTT
SCHEMBL9696408 0.85 ALOX5 (0.62) ALOX5ADRB2ADRB1ADRB3HTR1A
SCHEMBL566990 0.83 MAOB (0.60) ALOX5ADRB2ADRB1ADRB3MAOB
SCHEMBL566991 0.83 MAOB (0.60) ALOX5ADRB2ADRB1ADRB3MAOB
SCHEMBL11484008 0.81 MTNR1A (0.56) ALOX5ADRB2ADRB1ADRB3ADRA1D
SCHEMBL9695776 0.81 ALOX5 (0.62) ALOX5ADRB2ADRB1ADRB3HTT
SCHEMBL9696268 0.80 ALOX5 (0.62) ALOX5ADRB2ADRB1ADRB3HTR1A
SCHEMBL9696255 0.80 ALOX5 (0.58) ALOX5ADRB2ADRB1ADRB3HTT
SCHEMBL9694802 0.80 ALOX5 (1.00) ALOX5
SCHEMBL9696815 0.80 ALOX5 (0.80) ALOX5

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