SCHEMBL19635287

SCHEMBL19635287

CCOC(=O)c1c(C(C)CCO)c2ccc(C)c3c2n1CCCCOCc1n[nH]c(C)c1-3

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.36
BCL2L1 Q07817 2/20 0.34
BAD Q92934 2/20 0.34
BCL2 P10415 1/20 0.34

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
SCHEMBL19635280 0.86 MCL1 (0.48) MCL1BCL2L1BADBCL2
SCHEMBL19635014 0.82 MCL1 (0.51) MCL1BCL2L1BADBCL2
SCHEMBL19635872 0.77 MCL1 (0.58) MCL1BCL2L1BADBCL2
SCHEMBL19635749 0.77 MCL1 (0.56) MCL1BCL2L1BADBCL2
SCHEMBL19635096 0.76 MCL1 (0.57) MCL1BCL2L1BADBCL2
SCHEMBL24594043 0.76 MCL1 (0.49) MCL1
SCHEMBL19635965 0.74 MCL1 (0.62) MCL1BCL2L1BADBCL2
SCHEMBL19635724 0.73 MCL1 (0.64) MCL1BCL2L1BADBCL2
SCHEMBL24594066 0.72 MCL1 (0.50) MCL1
SCHEMBL19635017 0.72 MCL1 (0.65) MCL1BCL2L1BADBCL2

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