SCHEMBL11228075

SCHEMBL11228075

CCCCCCCCOC(=O)c1nc(C(=O)O)c(C(=O)O)nc1C(=O)OCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
MAPT P10636 3/20 0.56
ATM Q13315 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR1 P03372 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
NAAA Q02083 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL11232238 1.00 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11230500 1.00 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11234134 1.00 LMNA (0.56) LMNAMAPTATML3MBTL1GAA
SCHEMBL11237197 0.98 LMNA (0.55) LMNAMAPTATML3MBTL1GAA
SCHEMBL11237216 0.83 LMNA (0.54) LMNAMAPTATML3MBTL1GAA
SCHEMBL699240 0.82 LMNA (0.51) LMNAMAPTATML3MBTL1GAA
SCHEMBL21572873 0.81 LMNA (0.57) LMNAMAPTATML3MBTL1GAA
SCHEMBL6929389 0.80 LMNA (0.45) LMNAMAPTATML3MBTL1GAA
SCHEMBL11499991 0.77 ALDH1A1 (0.56) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL11153151 0.77 ALDH1A1 (0.56) LMNAMAPTALDH1A1TSHRTP53

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-4311843-A Di-n-alkyl dicarboxypyrazinedicarboxylates and ferrous complexes WILEY RICHARD H 1982-01-19 US claimed
US-4311843-A Di-n-alkyl dicarboxypyrazinedicarboxylates and ferrous complexes WILEY RICHARD H 1982-01-19 US disclosed