SCHEMBL23639482

SCHEMBL23639482

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.51
NMT2 O60551 4/20 0.51
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 2/20 0.42
FURIN P09958 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
CPB2 Q96IY4 2/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL30636808 0.97 NMT1 (0.53) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL29987029 0.91 ERAP2 (0.55) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL29606164 0.89 NMT1 (0.56) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL30463330 0.89 NMT1 (0.53) NMT1NMT2OPRM1OPRD1FURIN
SCHEMBL31433387 0.89 ERAP2 (0.53) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL29655211 0.88 NMT2 (0.47) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL30537467 0.88 ERAP2 (0.53) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL29895299 0.88 NMT1 (0.49) NMT1NMT2SLC6A5TLR2
SCHEMBL29397171 0.88 ERAP2 (0.53) NMT1NMT2ERAP2ERAP1LNPEP
SCHEMBL29529204 0.88 NMT1 (0.54) NMT1NMT2OPRM1OPRD1OPRK1

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
US-20210217474-A1 STORAGE OF INFORMATION USING MIXTURES OF MOLECULES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-07-15 US disclosed