SCHEMBL26217524

SCHEMBL26217524

CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
ACE P12821 1/20 0.42
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
CMA1 P23946 2/20 0.39
CTRC Q99895 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSK P43235 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL10604631 0.86 ACE (0.42) ITGB3ITGA2BACEF2PRSS1
SCHEMBL10604644 0.86 ACE (0.42) ITGB3ITGA2BACEF2PRSS1
SCHEMBL12335495 0.85 CACNA1B (0.41) ITGB3ITGA2BACEF2PRSS1
SCHEMBL30544850 0.84 ACE (0.56) ITGB3ITGA2BACEF2PRSS1
SCHEMBL10605519 0.82 KMT2A (0.43) ITGB3ITGA2BACECMA1KMT2A
SCHEMBL10604749 0.82 KMT2A (0.43) ITGB3ITGA2BACECMA1KMT2A
SCHEMBL10604758 0.82 KMT2A (0.43) ITGB3ITGA2BACECMA1KMT2A
SCHEMBL8253773 0.80 ELANE (0.41) ACECMA1CTSK
SCHEMBL25906663 0.80 ELANE (0.41) ACECMA1CTSK
SCHEMBL10605836 0.79 ACE (0.62) ACEF2PRSS1CMA1KMT2A

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-2023167282-A1 O-FUNCTION-TYPE ACTIVATABLE RAMAN PROBE 国立大学法人 東京大学 2023-09-07 WO disclosed