SCHEMBL8920397

SCHEMBL8920397

O=C(COc1cccc2ccccc12)OC(=O)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 4/20 0.57
OGG1 O15527 1/20 0.54
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
SIRT5 Q9NXA8 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL590845 0.86 TDP1 (0.67) ALDH1A1KDM4ETDP1L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL21246670 0.85 TDP1 (0.65) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL28564029 0.81 L3MBTL1 (0.55) ALDH1A1HPGDTDP1L3MBTL1MAPT
Naphthyloxyacetic Acid SCHEMBL8920389 0.81 ALDH1A1 (0.79) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL5888866 0.80 L3MBTL1 (0.78) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL6820186 0.79 KDM4E (0.70) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL28818018 0.78 L3MBTL1 (0.65) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL590846 0.77 SIRT5 (0.61) ALDH1A1KDM4ETDP1L3MBTL1MAPT
SCHEMBL5162627 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL28102502 0.77 L3MBTL1 (0.64) ALDH1A1KDM4EHPGDTDP1L3MBTL1

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-5631253-A FUNGICIDES, INSECTICIDES AND MITICIDES USING METHYLOXIME PHENYLPROPENOIC ACID ZENECA LIMITED (GB) 1997-05-20 US disclosed