SCHEMBL13879602

SCHEMBL13879602

CCOC(=O)C(CC(C)C)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.44
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
CAD P27708 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CAPN9 O14815 1/20 0.38
POLB P06746 1/20 0.38
CTSL P07711 2/20 0.37
CAPN1 P07384 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL13296072 0.86 ALDH1A1 (0.41) PPIDKMT2AALDH1A1LMNAMEN1
SCHEMBL25590485 0.83 TAS1R3 (0.47) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL22004937 0.83 TAS1R3 (0.47) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL25590478 0.83 TAS1R3 (0.47) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL5928091 0.83 CAD (0.42) KMT2AALDH1A1LMNACADL3MBTL1
SCHEMBL10974215 0.83 ALDH1A1 (0.43) PPIDKMT2AALDH1A1LMNAMEN1
SCHEMBL10974177 0.83 ALDH1A1 (0.43) PPIDKMT2AALDH1A1LMNAMEN1
SCHEMBL1966779 0.82 PPID (0.46) PPIDKMT2AALDH1A1LMNACAD
SCHEMBL21843855 0.82 CAD (0.41) PPIDKMT2AALDH1A1LMNACAD
SCHEMBL18964024 0.82 PPID (0.46) PPIDKMT2AALDH1A1LMNAMEN1

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-1833783-B1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS DU PONT (US) 2009-04-15 EP disclosed