SCHEMBL20357209

SCHEMBL20357209

O=C(NC(CCCO)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MDM2 Q00987 6/20 0.48
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CASP3 P42574 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
SCHEMBL20357208 1.00 MDM4 (0.50) MDM4TP53MDM2HDAC1HDAC2
SCHEMBL29992297 0.88 KMT2A (0.51) MDM4TP53MDM2KMT2ACASP3
SCHEMBL17826038 0.88 KMT2A (0.51) MDM4TP53MDM2KMT2ACASP3
SCHEMBL10022278 0.87 MDM2 (0.52) MDM4TP53MDM2CASP3
SCHEMBL29991547 0.86 CASP3 (0.53) MDM4TP53MDM2KMT2ACASP3
SCHEMBL16463752 0.86 MDM2 (0.58) MDM4TP53MDM2KMT2ACASP3
SCHEMBL20530570 0.86 MDM2 (0.58) MDM4TP53MDM2KMT2ACASP3
SCHEMBL30471464 0.85 MDM4 (0.52) MDM4TP53MDM2KMT2ACASP3
SCHEMBL27872890 0.84 MDM4 (0.51) MDM4TP53MDM2KMT2ACASP3
SCHEMBL13561436 0.83 HDAC1 (0.60) MDM4TP53MDM2HDAC1HDAC2

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-3345917-B1 ANTIPROTOZOAL COMPOUNDS BACOBA AG (CH) 2021-11-17 — — EP disclosed
EP-3345917-A1 ANTIPROTOZOAL COMPOUNDS Bacoba AG (CH) 2018-07-11 — — EP disclosed
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