SCHEMBL10533153

SCHEMBL10533153

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.49
▸ KDM1A O60341 3/20 0.42
▸ CXCR4 P61073 1/20 0.41
▸ OPRM1 P35372 3/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ XIAP P98170 1/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ GRB2 P62993 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ RAMP3 O60896 5/20 0.40
▸ CALCR P30988 5/20 0.40
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ SORT1 Q99523 1/20 0.39

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
SCHEMBL10377176 0.94 EPHA2 (0.49) EPHA2KDM1ACXCR4OPRM1OPRK1
SCHEMBL8969918 0.91 EPHA2 (0.49) EPHA2KDM1ACXCR4OPRM1XIAP
SCHEMBL8970642 0.89 EPHA2 (0.47) EPHA2KDM1AXIAPCALCRLMAOB
SCHEMBL9691462 0.88 EPHA2 (0.59) EPHA2KDM1AOPRM1OPRK1CALCRL
SCHEMBL9807265 0.87 EPHA2 (0.61) EPHA2KDM1AMAOBKDM5AKDM1B
SCHEMBL7780983 0.87 EPHA2 (0.41) EPHA2CXCR4OPRM1OPRK1
SCHEMBL10435105 0.86 EPHA2 (0.51) EPHA2KDM1ACXCR4OPRM1OPRK1
SCHEMBL10378224 0.85 EPHA2 (0.48) EPHA2KDM1AXIAPCALCRLMAOB
SCHEMBL10378950 0.85 EPHA2 (0.48) EPHA2KDM1ACXCR4OPRM1OPRK1
SCHEMBL30118981 0.84 EPHA2 (0.47) EPHA2CALCRLGRB2RAMP3CALCR

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-1989011289-A1 PEPTIDES HAVING T CELL HELPER ACTIVITY IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1989-11-30 — — WO disclosed
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