SCHEMBL5510354

SCHEMBL5510354

CC(=O)[C@@]1(OCc2ccccc2)C(Cc2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(O)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.35
▸ HIF1A Q16665 4/20 0.34
▸ SIRT1 Q96EB6 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK10 P53779 1/20 0.32

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
SCHEMBL3932086 0.88 MAOB (0.37) MAOBHIF1ASIRT1STING1MCL1
SCHEMBL14686069 0.88 MAOB (0.36) MAOBHIF1ASIRT1MCL1ABCB1
SCHEMBL5267902 0.84 SIRT1 (0.33) MAOBHIF1ASIRT1MCL1ABCB1
SCHEMBL5264656 0.79 BCHE (0.31) HIF1ASIRT1ACHE
SCHEMBL14686180 0.78 STING1 (0.37) MAOBHIF1ASIRT1STING1MCL1
SCHEMBL5265504 0.76 SIRT1 (0.33) MAOBHIF1ASIRT1MCL1ABCB1
SCHEMBL3669027 0.72 BCHE (0.36) MAOBSIRT1MCL1ABCB1MAPT
SCHEMBL15442718 0.72 BCHE (0.36) MAOBSIRT1MCL1ABCB1MAPT
SCHEMBL3670779 0.72 BCHE (0.36) MAOBSIRT1MCL1ABCB1MAPT
SCHEMBL5265282 0.71 BCHE (0.31) HIF1ASIRT1ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067679-B2 Synthesis of dimeric, trimeric, tetrameric pentameric, and higher oligomeric epicatechin-derived procyanidins having 4,8-interflavan linkages and their use to inhibit cancer cell growth through cell cycle arrest MARS, INC. 2006-06-27 — — US claimed
US-20050020512-A1 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INCORPORATED 2005-01-27 — — US claimed
US-20040116718-A1 Synthesis of dimeric, trimeric, tetrameric pentameric, and higher oligomeric epicatechin-derived procyanidins having 4beta,8-interflavan linkages and their use to inhibit cancer cell growth through cell cycle arrest MARS, INC. 2004-06-17 — — US claimed
US-20070276147-A1 Synthesis of Oligomeric Epicatechin- and Catechin-Derived Procyanidins KOZIKOWSKI ALAN P 2007-11-29 — — US disclosed
US-7244855-B2 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INC. 2007-07-17 — — US disclosed
US-20050020512-A1 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INCORPORATED 2005-01-27 — — US disclosed
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