SCHEMBL30695566

SCHEMBL30695566

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ CASP3 P42574 2/20 0.52
▸ MDM2 Q00987 5/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ TLR2 O60603 1/20 0.47

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
SCHEMBL12493153 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29547329 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29398074 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29552281 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29400538 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL119866 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL29398455 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL119859 1.00 MDM4 (0.57) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8656057 0.90 MDM4 (0.59) MDM4TP53CASP3MDM2KMT2A
SCHEMBL14029674 0.89 MDM4 (0.48) MDM4TP53CASP3MDM2KMT2A

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
CN-117330621-A High-throughput screening method for asymmetric catalytic reaction 武汉大学 2024-01-02 — — CN disclosed
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