SCHEMBL5313155

SCHEMBL5313155

O=CO[CH]C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.33
ADH1C P00326 3/20 0.33
ADH1B P00325 2/20 0.33
ADH4 P08319 2/20 0.33
ADH7 P40394 1/20 0.30

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
SCHEMBL1861049 0.75
SCHEMBL28515037 0.70
Cyclopentanecarbaldehyde SCHEMBL14575123 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL11341547 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL11734533 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
Cycloheptane Carbaldehyde SCHEMBL95620 0.67
SCHEMBL493755 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL59918 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
SCHEMBL329469 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7
Cyclononanecarbaldehyde SCHEMBL1920808 0.67 ADH1A (0.41) ADH1AADH1CADH1BADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324378-A Quinazolinone derivatives useful as FGFR kinase modulators ASTEX THERAPEUTICS LTD 2016-02-10 CN disclosed
CN-101754769-B Use of type B lantibiotics based on antimicrobial activity NOVACTA BIOSYSTEMS LTD. (GB) 2015-09-09 CN disclosed
CN-104837835-A VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LTD 2015-08-12 CN disclosed
CN-103492376-B Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LTD 2015-07-22 CN disclosed
CN-104736533-A VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LTD 2015-06-24 CN disclosed
CN-104725362-A PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD 2015-06-24 CN disclosed
CN-104507944-A Pteridines as FGFR inhibitors ASTEX THERAPEUTICS LTD 2015-04-08 CN disclosed
CN-104507931-A New compounds ASTEX THERAPEUTICS LTD 2015-04-08 CN disclosed
CN-102858765-B Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD 2015-04-01 CN disclosed
CN-102131791-B Dibenzothiepiazane derivatives and their use ASTRAZENECA SWEDEN AB 2014-12-24 CN disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
US-5977136-A Tetrahydroquinolines as NMDA antagonists GLAXO WELLCOME SPA (IT) 1999-11-02 US disclosed