SCHEMBL30871961

SCHEMBL30871961

C=CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.58
▸ KMT2A Q03164 2/20 0.52
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MDM2 Q00987 3/20 0.43
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL29854963 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25177960 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29971344 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL799783 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25177959 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
Butyric Acid SCHEMBL28240805 0.93 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120580 0.89 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31470993 0.89 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30604630 0.89 CASP3 (0.63) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13131281 0.87 CASP3 (0.54) CASP3KMT2AMDM4TP53CASP1

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
EP-4622996-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY King's College London (GB) 2025-10-01 — — EP disclosed
WO-2024110757-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY KING'S COLLEGE LONDON (GB) 2024-05-30 — — WO disclosed
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