SCHEMBL11244957

SCHEMBL11244957

CCCCCC[CH]CCC#CCCCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.36
HMGCR P04035 5/20 0.36
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FAAH O00519 3/20 0.33
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7179774 0.86 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1FAAH
SCHEMBL11244961 0.86 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1FAAH
SCHEMBL11245962 0.86 TSHR (0.41) FAAHCES1CES2LPAR1LPAR3
SCHEMBL295075 0.82 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL10447727 0.80 FAAH (0.41) FAAHCES1CES2TSHRMEN1
SCHEMBL6319883 0.80 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1FAAH
SCHEMBL11178915 0.77 HMGCR (0.39) PTPN7HMGCRRECQLTDP1FAAH
SCHEMBL24938544 0.74 FAAH (0.53) PTPN7RECQLTDP1FAAHCES1
SCHEMBL9214528 0.74 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1FAAH
SCHEMBL28417663 0.74 FAAH (0.53) PTPN7RECQLTDP1FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed