SCHEMBL28944893

SCHEMBL28944893

CCOP(=O)(CCCC(=O)NC(CC(=O)O)C(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ EPHX2 P34913 2/20 0.44
▸ NOD1 Q9Y239 5/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ LPAR3 Q9UBY5 2/20 0.36

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
SCHEMBL28944892 1.00 CA2 (0.48) CA2CA4EPHX2NOD1KMT2A
SCHEMBL24469448 0.89 NOD1 (0.42) NOD1KMT2APPARDPOLBFOLH1
SCHEMBL22690652 0.85 KMT2A (0.36) CA2CA4EPHX2NOD1KMT2A
SCHEMBL22690653 0.85 KMT2A (0.36) CA2CA4EPHX2NOD1KMT2A
SCHEMBL28786949 0.79 MMP9 (0.41) KMT2ALPAR3
SCHEMBL16124694 0.77 EPHX2 (0.60) CA2CA4EPHX2NOD1KMT2A
SCHEMBL7218627 0.76 EPHX2 (0.67) CA2CA4EPHX2NOD1KMT2A
SCHEMBL7218630 0.76 EPHX2 (0.67) CA2CA4EPHX2NOD1KMT2A
SCHEMBL2383184 0.75 PPARD (0.54) KMT2APPARD
SCHEMBL20552606 0.74 EPHX2 (0.65) CA2CA4EPHX2NOD1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136076-A MCL-1 inhibitor antibody drug conjugates and methods of use 诺华股份有限公司 2023-11-28 — — CN disclosed
CN-114728077-A MCL-1 inhibitor antibody-drug conjugates and methods of use 诺华股份有限公司 2022-07-08 — — CN disclosed
CN-114728076-A MCL-1 inhibitor antibody-drug conjugates and methods of use 诺华股份有限公司 2022-07-08 — — CN disclosed
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