SCHEMBL19635511

SCHEMBL19635511

CCCc1n[nH]c2c1-c1c(C)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)OCC)n(c13)C/C=C\COC2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.55
BAD Q92934 9/20 0.42
BCL2 P10415 8/20 0.42
BCL2L1 Q07817 7/20 0.42

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
SCHEMBL19635501 0.88 MCL1 (0.70) MCL1BADBCL2BCL2L1
SCHEMBL19635491 0.87 MCL1 (0.58) MCL1BADBCL2BCL2L1
SCHEMBL19635211 0.86 MCL1 (0.51) MCL1BADBCL2BCL2L1
SCHEMBL19635489 0.85 MCL1 (0.52) MCL1BADBCL2BCL2L1
SCHEMBL19635540 0.85 MCL1 (0.53) MCL1BADBCL2BCL2L1
SCHEMBL19635406 0.84 MCL1 (0.75) MCL1BADBCL2BCL2L1
SCHEMBL19635859 0.84 MCL1 (0.75) MCL1BADBCL2BCL2L1
SCHEMBL19635858 0.84 MCL1 (0.75) MCL1BADBCL2BCL2L1
SCHEMBL19635425 0.84 MCL1 (0.51) MCL1BADBCL2BCL2L1
SCHEMBL19635487 0.83 MCL1 (0.77) MCL1BADBCL2BCL2L1

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