SCHEMBL20554036

SCHEMBL20554036

CC(C)(C)OC(=O)CCSCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.51
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ TLR2 O60603 2/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ FDFT1 P37268 1/20 0.44

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
SCHEMBL18632610 1.00 MDM2 (0.51) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL9511556 0.93 MDM2 (0.49) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL9511552 0.93 MDM2 (0.49) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL17079665 0.91 SLC17A5 (0.53) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL29374829 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL29768913 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL29352017 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL29792120 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL117964 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5
SCHEMBL120511 0.90 MDM2 (0.55) MDM2MDM4TP53TLR2SLC17A5

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-3152225-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-11-14 — — EP disclosed
CN-106459156-A Peptides as oxytocin agonists 豪夫迈·罗氏有限公司 2017-02-22 — — CN disclosed
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