SCHEMBL14995993

SCHEMBL14995993

CCC(C)c1c(O)c(O)cc2c(O)c(-c3c(C)cc4c(C(C)CC)c(O)c(O)cc4c3O)c(C)cc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 20/20 0.71
BCL2 P10415 12/20 0.71
MCL1 Q07820 12/20 0.71
BCL2L2 Q92843 1/20 0.71
BCL2A1 Q16548 9/20 0.44
BAK1 Q16611 2/20 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
Apogossypol SCHEMBL29353524 0.83 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2L2BCL2A1
Apogossypol SCHEMBL2513478 0.83 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2L2BCL2A1
Apogossypol SCHEMBL29467534 0.83 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL12200184 0.80 BCL2L1 (0.93) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL14958609 0.77 MCL1 (0.87) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL30143373 0.73 MCL1 (0.77) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL30143506 0.73 MCL1 (0.77) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL355203 0.73 BCL2L1 (0.57) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL14959261 0.73 MCL1 (0.77) BCL2L1BCL2MCL1BCL2L2BCL2A1
SCHEMBL2622283 0.73 BCL2L1 (0.60) BCL2L1BCL2MCL1BCL2L2BCL2A1

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
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed