SCHEMBL6941308

SCHEMBL6941308

CC(C)=CCCC(C)CCOCCc1ccccc1NN

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MSR1 P21757 1/20 0.30

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
SCHEMBL6934825 0.87 ALOX15 (0.42) ALOX15NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL8059226 0.74 ALOX15 (0.67) ALOX15NFE2L2ALDH1A1TSHRTDP1
SCHEMBL4941959 0.73 ALOX15 (0.61) ALOX15NFE2L2ALDH1A1TSHRTDP1
SCHEMBL7930882 0.71 ALOX15 (0.49) ALOX15NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL6485590 0.71 ALOX15 (0.43) ALOX15NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL4940586 0.69 ALOX15 (0.52) ALOX15NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL14450995 0.68 TAAR1 (0.45) ALOX15ALDH1A1KDM4ETSHR
SCHEMBL17710688 0.68 ALOX15 (0.44) ALOX15NFE2L2ALDH1A1
SCHEMBL21596585 0.68 ALOX15 (0.44) ALOX15NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL17861077 0.68 ALOX15 (0.51) ALOX15NFE2L2ALDH1A1KDM4ETSHR

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-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed