SCHEMBL13196653

SCHEMBL13196653

Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(C)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 10/20 0.81
▸ BCL2 P10415 9/20 0.81
▸ AKR1B1 P15121 7/20 0.81
▸ BCL2L1 Q07817 3/20 0.81
▸ KDM4E B2RXH2 2/20 0.81
▸ MEN1 O00255 2/20 0.81
▸ NPC1 O15118 2/20 0.81
▸ USP2 O75604 2/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ LMNA P02545 2/20 0.81
▸ POLB P06746 2/20 0.81
▸ GAA P10253 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ THRB P10828 2/20 0.81
▸ HPGD P15428 2/20 0.81
▸ ALOX12 P18054 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ BLM P54132 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ SMN1; SMN2 Q16637 2/20 0.81

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
SCHEMBL13883897 0.96 MCL1 (0.89) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL30260519 0.90 MCL1 (1.00) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL9738017 0.90 MCL1 (1.00) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL29798874 0.90 MCL1 (1.00) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL29355719 0.90 MCL1 (1.00) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL3939 0.90 MCL1 (1.00) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL23014699 0.88 MCL1 (0.97) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL27755741 0.88 MCL1 (0.97) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL28855396 0.88 MCL1 (0.97) MCL1BCL2AKR1B1BCL2L1KDM4E
Gossypol SCHEMBL28166062 0.88 MCL1 (0.97) MCL1BCL2AKR1B1BCL2L1KDM4E

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-20100215820-A1 Refining of edible oil SOIL NET LLC 2010-08-26 — — US disclosed
Send feedback