SCHEMBL29649551

SCHEMBL29649551

COC(=O)c1ccc(NC(=O)[C@H](CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.42
▸ MDM2 Q00987 3/20 0.40
▸ TLR2 O60603 2/20 0.38
▸ KLKB1 P03952 1/20 0.36
▸ SIRT2 Q8IXJ6 6/20 0.35
▸ SIRT1 Q96EB6 4/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35

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
SCHEMBL29649433 0.94 MDM2 (0.44) MDM2TLR2KLKB1SIRT2SIRT1
SCHEMBL29649605 0.88 CASP3 (0.40) CASP3MDM2TLR2SIRT2SIRT1
SCHEMBL29590265 0.86 MDM2 (0.39) CASP3MDM2SIRT2SIRT1SIRT3
SCHEMBL29649526 0.84 MDM2 (0.45) MDM2TLR2SIRT2SIRT1SIRT3
SCHEMBL31681574 0.84 MDM2 (0.45) MDM2TLR2SIRT2SIRT1SIRT3
SCHEMBL25361941 0.84 MDM2 (0.43) MDM2TLR2SIRT2SIRT1SIRT3
SCHEMBL25361944 0.84 MDM2 (0.43) MDM2TLR2SIRT2SIRT1SIRT3
SCHEMBL30479657 0.84 CASP3 (0.53) CASP3MDM2TLR2
SCHEMBL30518584 0.82 PTPN1 (0.45) MDM2SIRT2SIRT1
SCHEMBL29649513 0.81 KLKB1 (0.42) KLKB1SIRT2SIRT1

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-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 — — EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 — — WO disclosed
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