SCHEMBL8631955

SCHEMBL8631955

CCCOC(=O)C1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PPM1B O75688 1/20 0.50
PTPN1 P18031 1/20 0.50
PPP1CC P36873 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NAAA Q02083 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL148328 1.00 ALDH1A1 (0.53) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL453228 0.98 PPM1B (0.51) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL29104424 0.94 ALDH1A1 (0.61) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL8695709 0.94 PPM1B (0.51) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL1245712 0.90 PPM1B (0.45) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL526510 0.89 PPM1B (0.55) ALDH1A1PPM1BPTPN1PPP1CCSMN1; SMN2
SCHEMBL6141464 0.89
SCHEMBL482814 0.89 ALDH1A1 (0.47) ALDH1A1PPM1BPTPN1PPP1CCMEN1
SCHEMBL10103543 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANAAA
SCHEMBL8633605 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANAAA

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