SCHEMBL19635437

SCHEMBL19635437

CCCc1n[nH]c2c1-c1c(C)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)n(c13)CCCCOC2

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.63
BAD Q92934 9/20 0.61
BCL2L1 Q07817 7/20 0.61
BCL2 P10415 7/20 0.61

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
SCHEMBL24594113 0.89 MCL1 (0.78) MCL1BADBCL2L1BCL2
SCHEMBL19616014 0.87 MCL1 (0.80) MCL1BADBCL2L1BCL2
SCHEMBL19635698 0.86 MCL1 (0.67) MCL1BADBCL2L1BCL2
SCHEMBL19635752 0.85 MCL1 (0.58) MCL1BADBCL2L1BCL2
SCHEMBL19635758 0.85 MCL1 (0.65) MCL1BADBCL2L1BCL2
SCHEMBL24594155 0.85 MCL1 (0.77) MCL1BADBCL2L1BCL2
SCHEMBL19635346 0.85 MCL1 (0.59) MCL1BADBCL2L1BCL2
SCHEMBL19635436 0.85 MCL1 (0.59) MCL1BADBCL2L1BCL2
SCHEMBL24594203 0.83 MCL1 (0.78) MCL1BADBCL2L1BCL2
SCHEMBL19635042 0.83 MCL1 (0.87) MCL1BADBCL2L1BCL2

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-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed