SCHEMBL21130615

SCHEMBL21130615

CCC(NC(=O)NC(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
EPHX1 P07099 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.33
MMP9 P14780 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
SCHEMBL745482 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAEPHX1
SCHEMBL8437778 0.76 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1MAPK1SMN1; SMN2
SCHEMBL6722398 0.76 TAS1R3 (0.39) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL11915410 0.76 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1MAPK1SMN1; SMN2
SCHEMBL20034129 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAEPHX1
SCHEMBL6722400 0.76 TAS1R3 (0.42) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL25098771 0.74 TAS1R3 (0.38) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5209609 0.74 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1PKMSMN1; SMN2
SCHEMBL23479934 0.74 TAS1R3 (0.38) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL24444347 0.74 TAS1R3 (0.38) ALDH1A1MEN1KMT2ATAS1R3TAS1R1

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-3502155-A1 CONDUCTIVE COMPOSITES The Boeing Company (US) 2019-06-26 EP disclosed