SCHEMBL30143373

SCHEMBL30143373

Cc1cc2c(C(C)C)cc(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.77
BCL2L1 Q07817 11/20 0.77
BCL2 P10415 10/20 0.77
BCL2L2 Q92843 2/20 0.77
ALB P02768 4/20 0.43
AKR1B1 P15121 3/20 0.42
LDHA P00338 2/20 0.42
LDHB P07195 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 2/20 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
Apogossypol SCHEMBL2513478 0.88 BCL2L1 (1.00) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL30143357 0.88 MCL1 (0.54) MCL1BCL2L1BCL2BCL2L2ALB
Apogossypol SCHEMBL29467534 0.88 BCL2L1 (1.00) MCL1BCL2L1BCL2BCL2L2ALB
Apogossypol SCHEMBL29353524 0.88 BCL2L1 (1.00) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL12200184 0.85 BCL2L1 (0.93) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL14958609 0.82 MCL1 (0.87) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL14959261 0.77 MCL1 (0.77) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL30143506 0.77 MCL1 (0.77) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL30143397 0.74 BCL2 (0.41) MCL1BCL2L1BCL2BCL2L2ALB
SCHEMBL22700667 0.73 MCL1 (0.69) MCL1BCL2L1BCL2BCL2L2ALB

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
CN-115536496-A Synthesis method of selective dehydroxy apogossypol 江苏度未生物工程科技有限公司 2022-12-30 CN disclosed