SCHEMBL14995965

SCHEMBL14995965

CCCc1c(O)c(O)cc2c(O)c(-c3c(C)cc4c(CCC)c(O)c(O)cc4c3O)c(C)cc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 17/20 0.66
BCL2 P10415 9/20 0.66
MCL1 Q07820 9/20 0.66
BCL2A1 Q16548 5/20 0.66
BCL2L2 Q92843 1/20 0.51
LDHA P00338 3/20 0.50
LDHB P07195 3/20 0.50
BAK1 Q16611 1/20 0.38

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
SCHEMBL14995970 0.92 BCL2L1 (0.64) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL2622283 0.86 BCL2L1 (0.60) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL14995997 0.83 BCL2L1 (0.50) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL2528280 0.82 BCL2L1 (0.61) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL14995987 0.81 BCL2L1 (0.51) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL1892776 0.80 BCL2L1 (0.79) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL2532052 0.80 BCL2L1 (1.00) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL14995998 0.79 BCL2L1 (0.47) BCL2L1BCL2MCL1BCL2A1LDHA
SCHEMBL14995968 0.79 BCL2L1 (0.43) BCL2L1BCL2MCL1BCL2A1BCL2L2
SCHEMBL2529200 0.78 BCL2L1 (0.58) BCL2L1BCL2MCL1BCL2A1BCL2L2

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