SCHEMBL5025945

SCHEMBL5025945

COc1ccccc1-c1ccc(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.56
FEN1 P39748 1/20 0.56
PTPRC P08575 1/20 0.56
PTPN1 P18031 1/20 0.56
TNKS2 Q9H2K2 1/20 0.50
PDK2 Q15119 1/20 0.50
PGR P06401 1/20 0.50
AR P10275 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
STAT3 P40763 1/20 0.48
CHEK1 O14757 1/20 0.48
HTR7 P34969 2/20 0.47
FFAR2 O15552 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PTPN5 P54829 1/20 0.47
DHFR P00374 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL21114065 0.84 PTPRC (0.55) ALOX5APFEN1PTPRCPTPN1TNKS2
SCHEMBL3465602 0.81 PTPRC (0.59) ALOX5APFEN1PTPRCL3MBTL1DHFR
SCHEMBL3691088 0.80 ERN1 (0.57) ALOX5APFEN1PTPRCPTPN1TNKS2
SCHEMBL5690752 0.80 SQOR (0.55) ALOX5APFEN1PTPRCPTPN1PDK2
SCHEMBL16056403 0.79 PTGS2 (0.46) ALOX5APFEN1PTPRCPTPN1TNKS2
SCHEMBL5478760 0.79 PTPRC (0.61) PTPRCPTPN1L3MBTL1CHEK1HTR7
SCHEMBL20296785 0.78 BACE1 (0.47) PTGS1PTGS2FFAR2
SCHEMBL4405765 0.78 ALDH1A1 (0.53) ALOX5APFEN1PTPRCPTPN1PTGS1
SCHEMBL26556078 0.78 HTR7 (0.64) PTPRCPTPN1TNKS2PDK2PGR
SCHEMBL29629017 0.78 HTR7 (0.64) PTPRCPTPN1TNKS2PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070308-A1 Portous Article For Delivering Chemical Substances LIFECYCLE PHARMA A/S (DK) 2008-03-20 US disclosed