SCHEMBL11077835

SCHEMBL11077835

CC(O)CCOC(=O)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.45
KDM2A Q9Y2K7 3/20 0.41
EGLN1 Q9GZT9 2/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 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
SCHEMBL22028559 0.92 ADRA2A (0.54) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL8611593 0.89 ADRA2A (0.44) ADRA2AADRA1AMAPTBLMKDM2A
SCHEMBL1258235 0.89 MAPT (0.47) ADRA2AADRA1AMAPTALDH1A1LMNA
SCHEMBL8679685 0.87 MAPT (0.50) MAPTALDH1A1LMNADGKA
SCHEMBL963696 0.87 MAPT (0.50) MAPTALDH1A1LMNADGKA
SCHEMBL13575623 0.86 CYP19A1 (0.45) ADRA2AADRA1AMAPTBLMKDM2A
SCHEMBL1743791 0.84 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMKDM2A
SCHEMBL28687972 0.83 LMNA (0.40) ADRA2AADRA1AMAPTBLMKDM2A
SCHEMBL23926237 0.83 MAPT (0.48) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL12076454 0.83 MAPT (0.53) ADRA2AADRA1AMAPTBLMALDH1A1

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
EP-0104727-A1 Pyridinyl-substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-04-04 EP disclosed
US-4430502-A Pyridinyl substituted benzimidazoles and quinoxalines THE UPJOHN COMPANY (US) 1984-02-07 US disclosed