SCHEMBL8064202

SCHEMBL8064202

O=C1C(=O)N2CCCCCCN1CCCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
DAO P14920 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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
Oxalic Acid SCHEMBL11501222 0.86 KMT2A (0.42) ALDH1A1TDP1LMNAKMT2AMEN1
Oxalic Acid SCHEMBL11501321 0.86 KMT2A (0.42) ALDH1A1TDP1LMNAKMT2AMEN1
Succinic Acid SCHEMBL11500923 0.80 SMN1; SMN2 (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL9934710 0.79 SMN1; SMN2 (0.41) ALDH1A1TDP1LMNAHSP90AA1CCR6
SCHEMBL15803244 0.76 SMN1; SMN2 (0.40) ALDH1A1TDP1LMNAHSP90AA1CCR6
Oxalic Acid SCHEMBL11500814 0.76 KMT2A (0.35) ALDH1A1LMNADAOKMT2AMEN1
SCHEMBL7707697 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL10522121 0.74 SMN1; SMN2 (0.38) ALDH1A1TDP1LMNAHSP90AA1CCR6
SCHEMBL1678359 0.72 CHRNB2 (0.40) TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL14551075 0.69 SMN1; SMN2 (0.36) ALDH1A1TDP1LMNAHSP90AA1CCR6

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-6120788-A Bioabsorbable triglycolic acid poly(ester-amide)s BIOAMIDE, INC. (US) 2000-09-19 US disclosed