SCHEMBL30074822

SCHEMBL30074822

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.55
▸ KMT2A Q03164 2/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ PIN1 Q13526 1/20 0.45

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
SCHEMBL22923671 0.85 KMT2A (0.56) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3267363 0.84 KMT2A (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119534 0.84 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL12635327 0.84 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119338 0.84 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL2625076 0.83 KMT2A (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL27590333 0.82 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL8451314 0.81 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL16465878 0.81 KMT2A (0.51) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31370693 0.81 KMT2A (0.51) CASP3KMT2AMDM4TP53EPHX2

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
EP-4089103-A1 CLPCP PROTEASE-BINDING CYCLIC HEPTAPEPTIDES Universität Duisburg-Essen (DE) 2022-11-16 — — EP disclosed
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