SCHEMBL8619425

SCHEMBL8619425

O=C1CCCC1COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ACHE P22303 4/20 0.40
BCHE P06276 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL3385822 0.95 KDM4E (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1969569 0.90 TSHR (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3814418 0.90 TSHR (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6979320 0.79 KDM4E (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18014873 0.78 HCAR2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23056654 0.78 PTGS2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29169544 0.78 PTGS2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL793526 0.78 PTGS2 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17144120 0.77 LMNA (0.49) LMNATSHRCTSLCTSBCTSK
SCHEMBL17610572 0.77 LMNA (0.46) LMNATSHRCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101723945-B Method for preparing antiviral medicinal entecavir intermediate SHANGHAI QINGSONG PHARMACEUTICAL CO LTD 2011-11-02 CN disclosed
CN-101723945-A Method for preparing antiviral medicinal entecavir intermediate SHANGHAI QINGSONG PHARMACEUTIC 2010-06-09 CN disclosed
EP-0730577-B1 26,28-METHYLENE-1ALPHA,25-DIHYDROXYVITAMIN D2 COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 1998-05-06 EP disclosed
EP-0730577-A1 26,28-METHYLENE-1ALPHA,25-DIHYDROXYVITAMIN D 2 COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-09-11 EP disclosed
US-5457217-A Treating bone disorders, osteoporosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-10-10 US disclosed
WO-1995014662-A1 26,28-METHYLENE-1ALPHA,25-DIHYDROXYVITAMIN D2 COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-06-01 WO disclosed
US-5373004-A Cyclopentane ring introduced into side chain; administering for treatment of osteoporosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1994-12-13 US disclosed
EP-0353732-A2 Fluoro-olefins, method for their preparation and their use CIBA-GEIGY AG (CH) 1990-02-07 EP disclosed