SCHEMBL11548975

SCHEMBL11548975

C=CCc1cccc(OC)c1OCCC(C)CCCC(C)(C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
BDKRB2 P30411 1/20 0.33

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
SCHEMBL11547707 0.79 ALOX5 (0.35) PTGESALOX5PPARGMAPK1L3MBTL1
SCHEMBL11547530 0.77 KDM4E (0.52) SMN1; SMN2ALDH1A1KDM4ELMNAMAPK1
SCHEMBL11549300 0.76 L3MBTL1 (0.48) KDM4EHPGDHTTPTGESALOX5
SCHEMBL11550011 0.76 SCN2A (0.39) ALDH1A1KDM4ELMNASLC6A4HTR2B
SCHEMBL11550411 0.76 SCN2A (0.34) ALDH1A1KDM4EPTGESALOX5PPARG
SCHEMBL11549696 0.76 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1ALOX5L3MBTL1PPARA
SCHEMBL11546435 0.75 ALOX15 (0.37)
SCHEMBL11545511 0.74 MAPT (0.35) ALDH1A1HPGDHTTPTGESALOX5
SCHEMBL27981723 0.74 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ENPC1HSP90AA1
SCHEMBL11546482 0.73 TDP1 (0.34) ALDH1A1MAPK1L3MBTL1

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-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed