SCHEMBL4080546

SCHEMBL4080546

COC(F)([C]=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
CES1 P23141 1/20 0.40
PTPN1 P18031 1/20 0.38
MAPK1 P28482 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL465653 0.76 ALDH1A1 (0.38) KCNN4ALDH1A1TSHRCES1PTPN1
SCHEMBL5161276 0.76 ALDH1A1 (0.38) KCNN4ALDH1A1TSHRCES1PTPN1
SCHEMBL5414397 0.76 ALDH1A1 (0.38) KCNN4ALDH1A1TSHRCES1PTPN1
SCHEMBL1229735 0.74 CES1 (0.42) KCNN4ALDH1A1TSHRCES1MAPK1
SCHEMBL7873896 0.74 ALDH1A1 (0.46) KCNN4ALDH1A1TSHRCES1MAPK1
SCHEMBL6826582 0.72 MAPK1 (0.43) KCNN4ALDH1A1CES1MAPK1ALOX15
SCHEMBL4080316 0.72 MAPK1 (0.43) KCNN4ALDH1A1TSHRCES1MAPK1
SCHEMBL422833 0.71 ALDH1A1 (0.46) KCNN4ALDH1A1TSHRCES1PTPN1
SCHEMBL9698748 0.71 CES1 (0.44) KCNN4ALDH1A1TSHRCES1PTPN1
SCHEMBL4085558 0.71 CES1 (0.40) KCNN4ALDH1A1TSHRCES1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US claimed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed
WO-2007134127-A3 AGENTS FOR IMAGING APOPTOSIS UNIV TEXAS (US) 2008-01-17 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed