SCHEMBL17206998

SCHEMBL17206998

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1)c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 5/20 0.97
▸ KDM4E B2RXH2 5/20 0.87
▸ MEN1 O00255 5/20 0.87
▸ MAPT P10636 5/20 0.87
▸ RECQL P46063 5/20 0.87
▸ KMT2A Q03164 5/20 0.87
▸ TDP1 Q9NUW8 5/20 0.87
▸ USP2 O75604 4/20 0.87
▸ ALOX15 P16050 4/20 0.87
▸ APEX1 P27695 4/20 0.87
▸ BLM P54132 4/20 0.87
▸ HSD17B10 Q99714 4/20 0.87
▸ CYP3A4 P08684 3/20 0.87
▸ HPGD P15428 3/20 0.87
▸ GALK1 P51570 3/20 0.87
▸ THRB P10828 2/20 0.87
▸ CASP1 P29466 2/20 0.87
▸ MAPK1 P28482 2/20 0.87
▸ LMNA P02545 2/20 0.87
▸ SLCO1B3 Q9NPD5 2/20 0.87

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
SCHEMBL16440592 1.00 BCL2 (0.97) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL432206 1.00 BCL2 (0.97) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL17206813 1.00 BCL2 (0.97) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL15683012 1.00 BCL2 (0.97) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL29373454 1.00 BCL2 (0.97) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL12658745 0.98 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL13300897 0.98 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL12672616 0.98 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL13300888 0.98 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL13287115 0.98 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL

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-9169231-B2 Anti-obesity agent comprising compound containing benzotropolone ring SUNTORY HOLDINGS LIMITED (JP) 2015-10-27 — — US disclosed
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