SCHEMBL30997469

SCHEMBL30997469

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 3/20 0.45
▸ CALCRL Q16602 4/20 0.44
▸ RAMP1 O60894 1/20 0.43
▸ DPP4 P27487 3/20 0.41
▸ PREP P48147 2/20 0.41
▸ FAP Q12884 2/20 0.41
▸ MLX Q9UH92 1/20 0.40
▸ ELANE P08246 6/20 0.38
▸ CMA1 P23946 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
SCHEMBL30226106 0.83 DPP4 (0.42) XIAPCALCRLRAMP1DPP4PREP
SCHEMBL31564810 0.83 FAP (0.44) XIAPCALCRLRAMP1DPP4PREP
SCHEMBL29464995 0.82 XIAP (0.48) XIAPDPP4PREPFAP
SCHEMBL18639824 0.81 PREP (0.44) XIAPDPP4PREPFAP
SCHEMBL29579324 0.81 PSMB9 (0.51) CALCRLRAMP1
SCHEMBL30812406 0.81 CALCRL (0.53) XIAPCALCRLRAMP1DPP4PREP
SCHEMBL30216494 0.81 XIAP (0.53) XIAPCALCRLPREPFAPMLX
SCHEMBL28580136 0.80 PREP (0.42) XIAPDPP4PREPFAP
SCHEMBL28580137 0.80 PREP (0.42) XIAPDPP4PREPFAP
SCHEMBL30951791 0.79 CALCRL (0.42) XIAPCALCRLRAMP1DPP4PREP

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-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
Send feedback