SCHEMBL20960951

SCHEMBL20960951

CC(C)CC(C(=O)O)C(C)(C)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CPA1 P15085 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 6/20 0.36
MMP2 P08253 6/20 0.36
MMP3 P08254 6/20 0.36
TNF P01375 2/20 0.36
ADAM17 P78536 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL12136003 0.78 RNPEP (0.46) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL21902741 0.74 RNPEP (0.43) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL17011642 0.72 RNPEP (0.41) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL13660018 0.72 RNPEP (0.41) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL5518560 0.71 RNPEP (0.44) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL14670248 0.71 RNPEP (0.40) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL8600991 0.71 RNPEP (0.36) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL8600987 0.71 RNPEP (0.36) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL10451715 0.69 RNPEP (0.43) RNPEPSLC7A5ALDH1A1MEN1LMNA
SCHEMBL28570067 0.69 RNPEP (0.39) RNPEPSLC7A5ALDH1A1MEN1LMNA

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-3477759-A1 ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE Murata Manufacturing Co., Ltd. (JP) 2019-05-01 EP disclosed