SCHEMBL30596303

SCHEMBL30596303

CC(C)[C@H](NC(=O)CCN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.43
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
TGFBR1 P36897 3/20 0.41
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
ECE1 P42892 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL3396651 0.88 MME (0.45) MMETGFBR1ECE1FNTAFNTB
SCHEMBL3396644 0.88 MME (0.45) MMETGFBR1ECE1FNTAFNTB
SCHEMBL30596302 0.82 NOD1 (0.51)
SCHEMBL30596305 0.81 MME (0.40) MMENMT2NMT1TGFBR1FNTA
SCHEMBL30596304 0.81 MME (0.40) MMENMT2NMT1TGFBR1FNTA
SCHEMBL4654530 0.80 FNTA (0.48) SDCBPSDC2FNTAFNTB
SCHEMBL6445198 0.80 FNTA (0.48) SDCBPSDC2FNTAFNTB
SCHEMBL29584346 0.80 MME (0.46) MMETGFBR1ECE1FNTAFNTB
SCHEMBL29386095 0.79 GSR (0.45) MMENMT2NMT1
SCHEMBL29867569 0.79 NMT1 (0.51) NMT2NMT1

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
CN-116806157-A Linker-payload and conjugates thereof 芬兰吉利科斯有限公司 2023-09-26 CN disclosed