SCHEMBL11274016

SCHEMBL11274016

O=C(O)CN(C(=O)OCc1ccccc1C(=O)OCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
EGFR P00533 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL1270807 0.88 LMNA (0.51) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL10915717 0.82 LMNA (0.47) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL84134 0.81 ALDH1A1 (0.49) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL11790891 0.79 ALDH1A1 (0.48) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL5967396 0.77 KEAP1 (0.47) TDP1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL8905179 0.77 ALDH1A1 (0.47) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL7624972 0.77 LMNA (0.49) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL11274023 0.77 TDP1 (0.49) TDP1ALDH1A1LMNAMAPTHPGD
SCHEMBL11732537 0.77 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHPGDENPP2
SCHEMBL6558020 0.76 ALDH1A1 (0.59) TDP1ALDH1A1LMNAMAPTHPGD

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-4310460-A Process for the production of 6-D-α-amino-p-hydroxyphenylacetamido penicillanic acid DOBFAR S.P.A. (IT) 1982-01-12 US disclosed