SCHEMBL8378757

SCHEMBL8378757

CO[C@H]1OCC[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 4/20 0.43
▸ PSEN2 P49810 4/20 0.43
▸ APH1B Q8WW43 4/20 0.43
▸ NCSTN Q92542 4/20 0.43
▸ APH1A Q96BI3 4/20 0.43
▸ PSENEN Q9NZ42 4/20 0.43
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ BCHE P06276 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL8664470 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20107264 0.82 BCHE (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26759652 0.81 SSTR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9306587 0.81 SSTR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19188801 0.81 SSTR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27304154 0.80 BCHE (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8714375 0.80 BCHE (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5804280 0.80 BCHE (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8382578 0.79 BCHE (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8718077 0.78 SLC6A2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749976-B1 ANTHRACYCLINE DERIVATIVES CONTAINING TRIFLUOROMETHYLATED SUGAR UNIT ZAIDAN HOJIN BISEIBUTSU (JP) 1999-04-28 — — EP disclosed
EP-0761678-B1 Fluorine-containing anthracycline derivatives having hydroxyl group(s) mono- or di-o-aminoalkanoylated in the sugar moiety thereof ZAIDAN HOJIN BISEIBUTSU (JP) 1999-03-31 — — EP disclosed
US-5801257-A DAUNOMYCIN ANTITUMOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-09-01 — — US disclosed
US-5789386-A WATER SOLUBLE ANTITUMOR AGENTS; INJECTABLE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-08-04 — — US disclosed
US-5719130-A HIGH ANTITUMOR ACTIVITY, LOWER TOXICITY ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-02-17 — — US disclosed
EP-0761678-A1 Fluorine-containing anthracycline derivatives having hydroxyl group(s) mono- or di-o-aminoalkanoylated in the sugar moiety thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-03-12 — — EP disclosed
EP-0749976-A1 NOVEL ANTHRACYCLINE DERIVATIVES CONTAINING TRIFLUOROMETHYLATED SUGAR UNIT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-12-27 — — EP disclosed
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