SCHEMBL30229665

SCHEMBL30229665

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
CPB2 Q96IY4 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NOD1 Q9Y239 1/20 0.40
TLR2 O60603 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
PLG P00747 2/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
HPGDS O60760 1/20 0.38
GHSR Q92847 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL30798612 0.92 TLR2 (0.41) ERAP2ERAP1LNPEPCPB2SIRT6
SCHEMBL10885106 0.88 CPB2 (0.52) ERAP2ERAP1LNPEPCPB2SIRT6
SCHEMBL10885110 0.88 CPB2 (0.52) ERAP2ERAP1LNPEPCPB2SIRT6
SCHEMBL12809532 0.87 SIRT6 (0.43) CPB2SIRT6SIRT1TLR2DPP8
SCHEMBL31177108 0.86 DPP8 (0.44) ERAP2ERAP1LNPEPCPB2SIRT6
SCHEMBL29429777 0.85 GHSR (0.56) ERAP2ERAP1LNPEPPLGGHSR
SCHEMBL30612725 0.85 ERAP2 (0.43) ERAP2ERAP1LNPEPSIRT6SIRT1
SCHEMBL20653679 0.83 NOD1 (0.55) ERAP2ERAP1LNPEPSIRT6SIRT1
SCHEMBL31686179 0.83 NOD1 (0.55) ERAP2ERAP1LNPEPSIRT6SIRT1
SCHEMBL30272513 0.82 SIRT6 (0.45) CPB2SIRT6SIRT1TLR2GNAI3

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-11560406-B2 Anti-androgen peptides and uses thereof in cancer therapy CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-01-24 US disclosed