SCHEMBL17633384

SCHEMBL17633384

C=CCOC(=O)N[C@@H](CCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OCC=C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.49
▸ MDM4 O15151 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ MDM2 Q00987 5/20 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
SCHEMBL17633370 0.88 MDM2 (0.51) MDM4TP53HDAC1HDAC2CASP3
SCHEMBL29624261 0.86 SLC17A5 (0.49) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL5060938 0.86 KMT2A (0.51) SLC17A5MDM4TP53HDAC1HDAC2
SCHEMBL13716717 0.85 SLC17A5 (0.48) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL15280776 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2
SCHEMBL29398585 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2
SCHEMBL30471287 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2
SCHEMBL29401691 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2
SCHEMBL28510322 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2
SCHEMBL10173082 0.85 KMT2A (0.51) MDM4TP53CASP3CASP1TLR2

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-3197481-A1 STABILIZED ADRENOMEDULLIN DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 — — EP disclosed
WO-2016046301-A1 STABILIZED ADRENOMEDULLIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 — — WO disclosed
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