SCHEMBL7974889

SCHEMBL7974889

CC(C)=CCCC(C)=CCOc1c(O)c2cc(OCc3ccccc3)ccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
PTPN1 P18031 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
MAOB P27338 1/20 0.41
ALOX15 P16050 6/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NDUFS8 O00217 1/20 0.41
COXFA4 O00483 1/20 0.41
NDUFAB1 O14561 1/20 0.41
NDUFA1 O15239 1/20 0.41
NDUFS4 O43181 1/20 0.41

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
SCHEMBL7974886 1.00 TDP1 (0.46) TDP1MGAMGAASIPTPN1
SCHEMBL6581949 0.85 PPARG (0.43) TDP1MGAMGAASIPTPN1
SCHEMBL6581953 0.85 PPARG (0.43) TDP1MGAMGAASIPTPN1
SCHEMBL6581714 0.82 ALOX15 (0.43) TDP1MGAMGAASIPTPN1
SCHEMBL6581706 0.82 ALOX15 (0.43) TDP1MGAMGAASIPTPN1
SCHEMBL6581174 0.79 TDP1 (0.45) TDP1ALOX15MAPTCYP3A4KDM4E
SCHEMBL6581180 0.79 TDP1 (0.45) TDP1ALOX15MAPTCYP3A4KDM4E
SCHEMBL6579274 0.79 TDP1 (0.46) TDP1ALOX15MAPTCYP3A4KDM4E
SCHEMBL6579268 0.79 TDP1 (0.46) TDP1ALOX15MAPTCYP3A4KDM4E
SCHEMBL9270434 0.74 MEN1 (0.55) GAAMAOBMAPTALDH1A1MEN1

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
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed