SCHEMBL8404289

SCHEMBL8404289

Cc1nc2cc(C(C)(C)C)c(O)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
ATP2A2 P16615 1/20 0.47
ATP2A3 Q93084 1/20 0.47
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL10785167 0.93 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ALOX15MAPTKDM4E
SCHEMBL24910475 0.85 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MAPTKDM4EESR1
SCHEMBL10833303 0.84 GAA (0.36) SMN1; SMN2ALDH1A1ALOX15MAPTKDM4E
SCHEMBL10784863 0.76 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1MAPTKDM4EESR1
SCHEMBL14431307 0.75 GAA (0.41) SMN1; SMN2ALDH1A1ALOX15MAPTKDM4E
SCHEMBL2756560 0.74 L3MBTL1 (0.53) SMN1; SMN2ALDH1A1MAPTKDM4ETP53
SCHEMBL11041469 0.74 CHRNB2 (0.46) SMN1; SMN2ALDH1A1ALOX15MAPTKDM4E
SCHEMBL9912823 0.72 L3MBTL1 (0.52) SMN1; SMN2ALDH1A1MAPTKDM4ETP53
SCHEMBL10784868 0.72 CNR2 (0.39) CHRNB2CHRNA4
SCHEMBL22323880 0.71 ESR1 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11043484-A None JP disclosed
JP-56100771-A None JP disclosed
JP-H1143484-A PRODUCTION OF 6-ALKYLOXY-5-TERTIARY-BUTYL-2-METHYL-BENZOXAZOLE SUMIKA FINE CHEM KK 1999-02-16 JP disclosed
US-4594426-A Benzoxazole derivative intermediates for synthesis of dye releasing redox compounds FUJI PHOTO FILM CO., LTD. (JP) 1986-06-10 US disclosed
JP-S56100771-A BENZOXAZOLE DERIVATIVE FUJI PHOTO FILM CO LTD 1981-08-12 JP disclosed