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Sugi Predict / Compounds / SCHEMBL29649620

SCHEMBL29649620

SCHEMBL29649620

Cc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Nc2ccc(C(O)C(=O)O)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ MDM2 Q00987 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ GRB2 P62993 1/20 0.38

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
SCHEMBL29649613 0.95 PTPN1 (0.42) PTPN1MDM2SIRT2SIRT1GRB2
SCHEMBL30518584 0.91 PTPN1 (0.45) PTPN1MDM2SIRT2SIRT1GRB2
SCHEMBL25361941 0.90 MDM2 (0.43) MDM2SIRT2SIRT1
SCHEMBL25361944 0.90 MDM2 (0.43) MDM2SIRT2SIRT1
SCHEMBL31677955 0.89 MDM2 (0.51) PTPN1MDM2
SCHEMBL22265232 0.87 PTPN1 (0.44) PTPN1MDM2GRB2
SCHEMBL29649526 0.86 MDM2 (0.45) MDM2SIRT2SIRT1
SCHEMBL31681574 0.86 MDM2 (0.45) MDM2SIRT2SIRT1
SCHEMBL25361270 0.84 PTPN1 (0.46) PTPN1MDM2SIRT2SIRT1GRB2
SCHEMBL25361276 0.84 PTPN1 (0.46) PTPN1MDM2SIRT2SIRT1GRB2

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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