SCHEMBL24378136

SCHEMBL24378136

CCOC(=O)c1c(CCCOc2cccc3c2CCCC3)c2ccc(C)c3c2n1CCCCOCc1[nH]nc(C)c1-3

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.59
BCL2L1 Q07817 3/20 0.46
BCL2 P10415 3/20 0.46
BAD Q92934 3/20 0.45
PMAIP1 Q13794 3/20 0.44

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
SCHEMBL19634922 0.87 MCL1 (0.77) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL24594115 0.87 MCL1 (0.78) MCL1PMAIP1
SCHEMBL24594161 0.85 MCL1 (0.78) MCL1PMAIP1
SCHEMBL24378082 0.85 MCL1 (0.53) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635581 0.85 MCL1 (0.78) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL19635289 0.84 MCL1 (0.51) MCL1BCL2L1BCL2BADPMAIP1
SCHEMBL24594104 0.83 MCL1 (0.68) MCL1PMAIP1
SCHEMBL24594149 0.83 MCL1 (0.69) MCL1PMAIP1
SCHEMBL24594207 0.82 MCL1 (0.67) MCL1PMAIP1
SCHEMBL23111033 0.82 MCL1 (0.87) MCL1BCL2L1BADPMAIP1

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-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed