SCHEMBL1557571

SCHEMBL1557571

[CH2]CCCCCOC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SOAT1 P35610 1/20 0.44
TSHR P16473 4/20 0.41
NAAA Q02083 1/20 0.41
CYP3A4 P08684 1/20 0.39
EPHX1 P07099 1/20 0.38
ACHE P22303 6/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3118931 0.98 ALDH1A1 (0.56) ALDH1A1SOAT1TSHRNAAACYP3A4
SCHEMBL2900732 0.91 ALDH1A1 (0.59) ALDH1A1SOAT1TSHRNAAAEPHX1
SCHEMBL6940068 0.89 ALDH1A1 (0.68) ALDH1A1SOAT1TSHRNAAACYP3A4
SCHEMBL23093044 0.89 TSHR (0.46) ALDH1A1TSHRNAAACYP3A4EPHX1
SCHEMBL9111420 0.88 TSHR (0.46) ALDH1A1TSHRNAAACYP3A4EPHX1
SCHEMBL10344245 0.87 ALDH1A1 (0.72) ALDH1A1SOAT1TSHRNAAAEPHX1
SCHEMBL9839017 0.85 ALDH1A1 (0.52) ALDH1A1TSHRNAAACYP3A4EPHX1
SCHEMBL4848050 0.83 NAAA (0.55) ALDH1A1TSHRNAAAEPHX1ACHE
SCHEMBL4852353 0.83 NAAA (0.55) ALDH1A1TSHRNAAAEPHX1ACHE
SCHEMBL4855892 0.83 NAAA (0.55) ALDH1A1TSHRNAAAEPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303840-A2 CALCIUM ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2011-04-06 EP disclosed
WO-2010001179-A2 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-07 WO disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
EP-1898951-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER Daiichi Sankyo Company, Limited (JP) 2008-03-19 EP disclosed
EP-1865964-A1 TOPICAL FORMULATIONS FOR USE IN THE TREATMENT OR PREVENTION OF DERMATOLOGICAL CONDITIONS Stegram Pharmaceuticals Limited (GB) 2007-12-19 EP disclosed
WO-2007001067-A2 SOLID DOSAGE FORM COMPRISING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2007001065-A2 METHOD FOR THE PREPARATION OF A WET GRANULATED DRUG PRODUCT DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2007001066-A1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-01-04 WO disclosed
WO-2006054119-A1 TOPICAL FORMULATIONS FOR USE IN THE TREATMENT OR PREVENTION OF DERMATOLOGICAL CONDITIONS STEGRAM PHARMACEUTICALS LTD (GB) 2006-05-26 WO disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
WO-2001002413-A1 BAFIlOMYCIN DERIVATIVES WITH ANTICANCER ACTIVITY INSTITUTO BIOMAR S.A. (ES) 2001-01-11 WO disclosed
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 US disclosed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 EP disclosed
US-4496562-A 7-Substituted-3-cephem-4-carboxylic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 US disclosed