SCHEMBL30524109

SCHEMBL30524109

CC(C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MDM2 Q00987 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ TLR2 O60603 2/20 0.45
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL2247204 1.00 MDM4 (0.49) MDM4TP53MDM2KMT2APTPN1
SCHEMBL2252014 0.91 MDM4 (0.47) MDM4TP53KMT2APTPN1TLR2
SCHEMBL29989986 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL29792137 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL27728772 0.90 MDM4 (0.49) MDM4TP53MDM2KMT2ATLR2
SCHEMBL29591196 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL5323666 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL30074491 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL1709129 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1
SCHEMBL29350883 0.90 KMT2A (0.52) MDM4TP53MDM2KMT2APTPN1

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
WO-2023143158-A1 PHENOL DERIVATIVE, CRYSTAL FORM THEREOF, AND PREPARATION METHOD THEREFOR 天地恒一制药股份有限公司 2023-08-03 — — WO disclosed
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