SCHEMBL8631017

SCHEMBL8631017

CCCOC(=O)OC1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
EPHX1 P07099 2/20 0.50
HTT P42858 2/20 0.45
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 2/20 0.37
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL453874 1.00 NAAA (0.50) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL11589171 1.00 NAAA (0.50) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL11590190 1.00 NAAA (0.50) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL450994 0.98 NAAA (0.49) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL8378630 0.94 NAAA (0.44) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL8693535 0.90 PPM1B (0.40) NAAAEPHX1HTTALDH1A1PPM1B
SCHEMBL451499 0.89 NAAA (0.56) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL8630971 0.89 NAAA (0.56) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL4350675 0.87 NAAA (0.58) NAAAEPHX1HTTALDH1A1L3MBTL1
SCHEMBL11590153 0.87 NAAA (0.58) NAAAEPHX1HTTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
US-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed