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SCHEMBL26679247

SCHEMBL26679247

CC(NC(=O)C(N)Cc1ccccc1)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ CACNA1C Q13936 1/20 0.47
▸ ABCC2 Q92887 1/20 0.45
▸ TERF2 Q15554 5/20 0.39
▸ CTSC P53634 4/20 0.35
▸ CAPN1 P07384 1/20 0.32

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
SCHEMBL22429645 1.00 ESR1 (0.51) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429493 1.00 ESR1 (0.51) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429540 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26678817 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26678826 0.90 CACNA1C (0.50) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429572 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL26679019 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429138 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429896 0.89 CACNA1C (0.49) ESR1PTGS1PDE4ACACNA1CABCC2
SCHEMBL22429544 0.88 ESR1 (0.52) ESR1PTGS1PDE4ACACNA1CABCC2

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
EP-3430013-B1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD (IN) 2023-11-15 — — EP disclosed