SCHEMBL8086326

SCHEMBL8086326

CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(F)c(O)c([N+](=O)[O-])c(F)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 3/20 0.39
FNTA P49354 3/20 0.38
FNTB P49356 2/20 0.38
MAPT P10636 2/20 0.38
PSEN1 P49768 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
CYP3A4 P08684 3/20 0.36
BACE1 P56817 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8518205 1.00 ALOX15 (0.39) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088141 0.99 ALOX15 (0.38) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088140 0.99 ALOX15 (0.38) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8083283 0.99 ALDH1A1 (0.40) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8083287 0.99 ALDH1A1 (0.40) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088138 0.93 ALOX15 (0.42) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088136 0.93 ALOX15 (0.42) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088134 0.92 ALOX15 (0.43) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL8088135 0.92 ALOX15 (0.43) ALOX15ALDH1A1FNTAFNTBMAPT
SCHEMBL14193111 0.89 ALDH1A1 (0.41) ALOX15ALDH1A1FNTAFNTBMAPT

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-2000509034-A 2000-07-18 JP claimed
EP-0902779-A2 PHOSPHATE MIMICS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-03-24 EP claimed
WO-1997040006-A2 PHOSPHATE MIMICS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-10-30 WO claimed
EP-0902779-A2 PHOSPHATE MIMICS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-03-24 EP disclosed
WO-1997040006-A2 PHOSPHATE MIMICS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-10-30 WO disclosed