SCHEMBL9517009

SCHEMBL9517009

CCCCCCCCCCCCC(=O)c1c[nH]c(C(=O)OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 4/20 0.45
HSD17B3 P37058 6/20 0.44
NR4A1 P22736 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL5859454 1.00 BAZ2B (0.51) BAZ2BBAZ2ALMNAMAPK1SMN1; SMN2
SCHEMBL5858863 1.00 BAZ2B (0.51) BAZ2BBAZ2ALMNAMAPK1SMN1; SMN2
SCHEMBL5858212 0.99 BAZ2B (0.52) BAZ2BBAZ2ALMNAMAPK1SMN1; SMN2
SCHEMBL9150821 0.89 LMNA (0.48) BAZ2BBAZ2ALMNAMAPK1SMN1; SMN2
SCHEMBL9150472 0.89 LMNA (0.48) BAZ2BBAZ2ALMNAMAPK1SMN1; SMN2
SCHEMBL9151585 0.87 BAZ2B (0.68) BAZ2BBAZ2ALMNAALDH1A1HTT
SCHEMBL7965196 0.87 BAZ2B (0.68) BAZ2BBAZ2ALMNAALDH1A1HTT
SCHEMBL9147964 0.87 BAZ2B (0.68) BAZ2BBAZ2ALMNAALDH1A1HTT
SCHEMBL18250028 0.86 BAZ2B (0.51) BAZ2BBAZ2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14915671 0.83 BAZ2B (0.54) BAZ2BBAZ2AALDH1A1HTTGABRP

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
JP-5017437-A None JP disclosed
JP-H0517437-A PRODUCTION OF PYRROLECARBOXYLIC ACID DERIVATIVE MITSUBISHI KASEI CORP 1993-01-26 JP disclosed