SCHEMBL20628537

SCHEMBL20628537

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.69
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
CPA1 P15085 1/20 0.44
MMP2 P08253 6/20 0.42
MMP9 P14780 6/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.41
MMP7 P09237 1/20 0.41
MMP12 P39900 1/20 0.41
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
MMP14 P50281 3/20 0.40
ADAM17 P78536 1/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 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
SCHEMBL8269110 0.82 MME (0.61) MMESLC1A3SLC1A2CPA1MMP2
SCHEMBL8049130 0.78 MME (0.57) MMEALDH1A1SLC1A3SLC1A2CPA1
SCHEMBL8049132 0.78 MME (0.57) MMEALDH1A1SLC1A3SLC1A2CPA1
SCHEMBL25633192 0.78 MME (0.65) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL14754681 0.77 ALDH1A1 (0.44) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL13840603 0.77 ALDH1A1 (0.44) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL25633190 0.77 MME (0.55) MMEALDH1A1LMNASLC1A3SLC1A2
SCHEMBL25633002 0.77 MME (0.63) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL5870523 0.76 MME (0.56) MMESLC1A3SLC1A2CPA1ANPEP
SCHEMBL7262370 0.76 MME (0.56) MMESLC1A3SLC1A2CPA1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019008164-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-10 WO disclosed
EP-3424538-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-09 EP disclosed