SCHEMBL30289352

SCHEMBL30289352

C#CCO[C@@H]1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
KLK7 P49862 1/20 0.42
FKBP1A P62942 3/20 0.41
MCL1 Q07820 5/20 0.40
UCHL1 P09936 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CTSL P07711 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 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
SCHEMBL30289052 1.00 ABCB1 (0.46) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL30289424 1.00 ABCB1 (0.46) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL7279798 0.90 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL21273903 0.90 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL1448111 0.90 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL7703700 0.90 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL16064932 0.85 ABCB1 (0.47) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL15417732 0.84 ABCB1 (0.48) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL23491959 0.84 MCL1 (0.51) ABCB1FKBP1AMCL1
SCHEMBL6974007 0.84 MCL1 (0.51) ABCB1FKBP1AMCL1

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-4405359-A2 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-31 EP disclosed
WO-2023049790-A2 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-30 WO disclosed