SCHEMBL7399610

SCHEMBL7399610

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TNF P01375 2/20 0.45
▸ MDM2 Q00987 1/20 0.43
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL7394094 1.00 CASP3 (0.51) CASP3KMT2AMDM4TP53TNF
SCHEMBL7401573 1.00 CASP3 (0.51) CASP3KMT2AMDM4TP53TNF
SCHEMBL7394092 1.00 CASP3 (0.51) CASP3KMT2AMDM4TP53TNF
SCHEMBL7399615 1.00 CASP3 (0.51) CASP3KMT2AMDM4TP53TNF
SCHEMBL12972482 0.85 CASP3 (0.48) CASP3KMT2AMDM4TP53TNF
SCHEMBL17826082 0.85 KMT2A (0.56) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29400679 0.85 KMT2A (0.56) CASP3KMT2AMDM4TP53MDM2
SCHEMBL13658468 0.85 KMT2A (0.56) CASP3KMT2AMDM4TP53MDM2
SCHEMBL12928621 0.85 KMT2A (0.56) CASP3KMT2AMDM4TP53MDM2
SCHEMBL9186701 0.83 MDM4 (0.59) CASP3KMT2AMDM4TP53MDM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624163-B1 CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION SMITHKLINE BEECHAM FARMA (IT) 1998-03-25 — — EP disclosed
EP-0624163-A1 CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-11-17 — — EP disclosed
WO-1993015106-A1 CYCLIC CALCITONINE DERIVATIVES AND METHOD FOR THEIR PRODUCTION SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1993-08-05 — — WO disclosed
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