SCHEMBL7750899

SCHEMBL7750899

CCCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 4/20 0.44
USP2 O75604 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
FAAH O00519 7/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 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
SCHEMBL7754047 0.98 CES1 (0.49) CES1MEN1HTTKMT2ATHRB
SCHEMBL7754447 0.93 TSHR (0.39) CES1MEN1HTTKMT2ATHRB
SCHEMBL7750849 0.93 TSHR (0.39) CES1MEN1HTTKMT2ATHRB
SCHEMBL7754453 0.92 TSHR (0.41) CES1MEN1HTTKMT2ATHRB
SCHEMBL7563945 0.88 CES1 (0.43) CES1MEN1HTTKMT2ATHRB
SCHEMBL7560049 0.86 CES1 (0.53) CES1MEN1HTTKMT2ATHRB
SCHEMBL7558673 0.83 CES1 (0.47) CES1MEN1HTTKMT2ATHRB
SCHEMBL7566221 0.83 CES1 (0.47) CES1MEN1HTTKMT2ATHRB
SCHEMBL7558796 0.83 CES1 (0.47) CES1MEN1HTTKMT2ATHRB
SCHEMBL8769685 0.83 CES1 (0.50) CES1MEN1HTTKMT2ATHRB

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
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed