SCHEMBL9227486

SCHEMBL9227486

CCOC(=O)C1(C(=O)NCc2ccccc2)CCC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
PPID Q08752 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
SLC1A2 P43004 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8882513 0.89 CASP3 (0.47) CASP3SMN1; SMN2PPIDMEN1KMT2A
SCHEMBL9230909 0.89 CYP3A4 (0.46) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9231209 0.82 CYP3A4 (0.41) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9233134 0.81 CYP3A4 (0.41) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8881736 0.80 CASP3 (0.46) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12492854 0.78 PPID (0.53) SMN1; SMN2PPIDMEN1KMT2AALDH1A1
SCHEMBL8882202 0.78 CASP3 (0.46) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9233093 0.75 L3MBTL1 (0.49) MEN1KMT2AALDH1A1EPHX2L3MBTL1
SCHEMBL9227332 0.75 MEN1 (0.43) CASP3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9233372 0.74 KDM4E (0.41) CASP3SMN1; SMN2MEN1KMT2AALDH1A1

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
EP-0677522-A1 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-10-18 EP disclosed