SCHEMBL10858970

SCHEMBL10858970

c1ccc(COc2ccc(Oc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
ALOX5 P09917 2/20 0.54
CYSLTR1 Q9Y271 3/20 0.54
CYSLTR2 Q9NS75 2/20 0.54
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
MAOB P27338 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3316417 0.85 ALOX5 (0.59) CYP3A4ALOX5MAOBMAOARAB9A
SCHEMBL1010648 0.84 MEN1 (0.53) CYP3A4ALOX5CYSLTR1CYSLTR2HDAC6
SCHEMBL28230139 0.82 CYP3A4 (0.55) CYP3A4ALOX5CYSLTR1CYSLTR2GPBAR1
SCHEMBL31595897 0.82 HTT (0.58) ALOX5CYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL199906 0.82 HTT (0.58) ALOX5CYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL3311744 0.81 ALOX5 (0.54) CYP3A4ALOX5LMNAMAOBSMN1; SMN2
SCHEMBL28342438 0.80 HTT (0.56) ALOX5CYSLTR1CYSLTR2LMNACYP1A2
Hydrochloric Acid SCHEMBL27672403 0.80 HTT (0.56) ALOX5CYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL10847357 0.79 AR (0.51) ALOX5CYSLTR1CYSLTR2LMNACYP1A2
SCHEMBL10544473 0.77 CYSLTR1 (0.84) ALOX5CYSLTR1CYSLTR2GPBAR1FFAR1

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-4629493-A NONPHYTOTOXIC TO BROAD LEAF PLANTS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-12-16 US disclosed