SCHEMBL7326403

SCHEMBL7326403

CCOC(=O)C1(C(=O)OCC)CC(C)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 1/20 0.34
CASP1 P29466 1/20 0.33
GRM1 Q13255 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL7861019 0.77 POLB (0.37) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL7242999 0.76 GAA (0.36) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL14895480 0.75 SMN1; SMN2 (0.52) KDM4EGAASMN1; SMN2HTTALDH1A1
SCHEMBL8903867 0.73 POLB (0.47) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL28504265 0.72 POLB (0.48) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL8904269 0.69 POLB (0.44) POLBKDM4EGAASMN1; SMN2ATM
SCHEMBL10856055 0.68 POLB (0.50) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL9786463 0.67 GAA (0.57) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL19850673 0.67 GAA (0.57) POLBKDM4ELMNAGAASMN1; SMN2
SCHEMBL19850670 0.67 GAA (0.41) POLBKDM4ELMNAGAASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140272065-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-09-18 US disclosed
EP-2770849-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2014-09-03 EP disclosed
WO-2013060815-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-02 WO disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed
EP-0384380-A2 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC. (JP) 1990-08-29 EP disclosed