SCHEMBL21153776

SCHEMBL21153776

CC(C)[C@@H](CO)C(=O)NCC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
ECE1 P42892 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE P12821 1/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL19295807 0.79 ALDH1A1 (0.36) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL18462938 0.79 ALDH1A1 (0.36) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL14410302 0.78 ALDH1A1 (0.39) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL15381964 0.76 DPP4 (0.40) MMP2ECE1ALDH1A1LMNAMAPT
SCHEMBL15381963 0.75 TERT (0.43) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL24476459 0.74 CTSS (0.36) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL25939115 0.73 TNF (0.33) TNFMMP1MMP2MMP3ADAM17
SCHEMBL25939110 0.73 TNF (0.33) TNFMMP1MMP2MMP3ADAM17
SCHEMBL10208283 0.72 POLB (0.38) TNFMMP1MMP2MMP3ADAM17
SCHEMBL23643337 0.67 RECQL (0.35)

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
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed