SCHEMBL29630472

SCHEMBL29630472

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.45
EPHA2 P29317 2/20 0.45
NRP1 O14786 2/20 0.43
GRB2 P62993 1/20 0.42
NTSR2 O95665 3/20 0.42
NTSR1 P30989 3/20 0.42
PLK1 P53350 1/20 0.42
SORT1 Q99523 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 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
SCHEMBL30490593 0.89 OPRK1 (0.45) EPHA2NRP1NTSR2NTSR1OPRM1
SCHEMBL30658582 0.88 XIAP (0.45) XIAPEPHA2GRB2OPRM1OPRK1
SCHEMBL30487567 0.87 NTSR2 (0.47) NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL29379382 0.87 NTSR2 (0.48) NRP1NTSR2NTSR1PLK1SORT1
SCHEMBL30361589 0.86 NTSR2 (0.52) XIAPNTSR2NTSR1SORT1
SCHEMBL31657757 0.86 NMUR2 (0.48) EPHA2
SCHEMBL29886811 0.86 EPHA2 (0.45) XIAPEPHA2NRP1GRB2NTSR2
SCHEMBL30676238 0.86 EPHA2 (0.46) XIAPEPHA2GRB2NTSR2NTSR1
SCHEMBL29801896 0.86 NRP1 (0.42) EPHA2NRP1GRB2OPRM1OPRK1
SCHEMBL22872708 0.86 NRP1 (0.54) EPHA2NRP1GRB2NTSR2NTSR1

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed