SCHEMBL11061588

SCHEMBL11061588

COC(=O)CCC(F)(F)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TET2 Q6N021 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL31387794 0.89 TSHR (0.57) TSHRCA12CA14RECQLKMT2A
SCHEMBL31163774 0.85 TSHR (0.48) TSHRCA12CA14RECQLKMT2A
SCHEMBL764943 0.83 TSHR (0.50) TSHRCA12CA14RECQLKMT2A
SCHEMBL31387748 0.82 TSHR (0.46) TSHRCA12CA14RECQLKMT2A
SCHEMBL31387753 0.81 TSHR (0.54) TSHRCA12CA14RECQLKMT2A
SCHEMBL15071363 0.81 TSHR (0.48) TSHRCA12CA14RECQLKMT2A
SCHEMBL31252287 0.81 TSHR (0.48) TSHRCA12CA14RECQLKMT2A
SCHEMBL9103267 0.79 TSHR (0.57) TSHRCA12CA14RECQLKMT2A
SCHEMBL20120263 0.79 APP (0.33) CA12CA14EPHX2CA2
SCHEMBL166315 0.79 CYP1A2 (0.44) TSHRKMT2ALMNAKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456768-A Chemical synthesis THE UNIVERSITY OF CHICAGO (US) 1984-06-26 US disclosed
US-4324730-A Certain fluorine substituted PGI2 compounds THE UNIVERSITY OF CHICAGO (US) 1982-04-13 US disclosed
EP-0037422-A4 FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS. UNIV CHICAGO (US) 1982-01-26 EP disclosed
EP-0037422-A1 FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS UNIVERSITY OF CHICAGO (US) 1981-10-14 EP disclosed
WO-1981001002-A1 FLUORO-SUBSTITUTED PROSTAGLANDINS AND PROSTACYCLINS UNIV CHICAGO (US) 1981-04-16 WO disclosed