SCHEMBL29637878

SCHEMBL29637878

O=C(O)c1ccc2cc(C(=O)Oc3ccccc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
NSD2 O96028 1/20 0.56
KDM4E B2RXH2 2/20 0.53
PARP10 Q53GL7 1/20 0.51
ALOX5 P09917 1/20 0.50
AKR1C3 P42330 1/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
TMPRSS15 P98073 1/20 0.50
TTR P02766 2/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 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
SCHEMBL10960357 1.00 MAPT (0.57) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL8666453 0.95 KMT2A (0.64) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL69953 0.94 MAPT (0.62) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL418527 0.91 MAPT (0.68) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL72201 0.91 MAPT (0.62) MAPTALDH1A1MEN1KMT2ATDP1
Terephthalic Acid SCHEMBL6660728 0.87 AKR1C3 (0.58) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL995523 0.87 AKR1C3 (0.61) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5698842 0.87 KDM4E (0.65) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL10778099 0.86 KMT2A (0.77) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL6054705 0.86 KMT2A (0.62) MAPTALDH1A1MEN1KMT2ATDP1

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
CN-110591063-B Modified polyethylene naphthalate containing imide structure and preparation method thereof 沈阳建筑大学 2022-06-07 CN disclosed