SCHEMBL265593

SCHEMBL265593

CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 2/20 0.72
POLB P06746 1/20 0.72
GAA P10253 1/20 0.72
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SLC16A3 O15427 2/20 0.50
SLC16A1 P53985 2/20 0.50
CDC25B P30305 2/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LTC4S Q16873 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL266168 0.95 ALDH1A1 (0.66) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL265913 0.93 ALDH1A1 (0.61) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL7475430 0.89 GAA (0.71) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL265494 0.88 SMN1; SMN2 (0.70) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL267885 0.84 ALDH1A1 (1.00) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL10933445 0.82 ALDH1A1 (0.95) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL7489020 0.82 MEN1 (0.65) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL9314525 0.81 MEN1 (0.52) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL28522125 0.81 ALDH1A1 (0.84) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL3660975 0.81 ALDH1A1 (0.93) KDM4EALDH1A1POLBGAAMEN1

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-8134017-B1 Compound and use thereof RIKEN (JP) 2012-03-13 US disclosed