SCHEMBL7756829

SCHEMBL7756829

Cc1ccc(S(=O)(=O)OCCCCC(F)(F)OCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.35
CA1 P00915 5/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP24A1 Q07973 2/20 0.32
CA2 P00918 4/20 0.32
STAT3 P40763 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL7756826 0.86 CA1 (0.35) PSMD10CA1CA12CA9CYP24A1
SCHEMBL7755223 0.85 CA1 (0.34) PSMD10CA1CA12CA9CYP24A1
SCHEMBL5531391 0.82 PSMD10 (0.38) PSMD10CA1CA12CA9CYP24A1
SCHEMBL6849019 0.81 PSMD10 (0.37) PSMD10CA1CA12CA9CYP24A1
SCHEMBL6849012 0.81 PSMD10 (0.37) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4586834 0.80 ALDH1A1 (0.38) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4049984 0.78 CA12 (0.40) PSMD10CA1CA12CA9CYP24A1
SCHEMBL6852562 0.78 ALDH1A1 (0.38) PSMD10CA1CA12CA9CYP24A1
SCHEMBL6853749 0.78 ALDH1A1 (0.38) PSMD10CA1CA12CA9CYP24A1
SCHEMBL4588419 0.77 PSMD10 (0.39) PSMD10CA1CA12CA9CYP24A1

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
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
WO-1996015092-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-23 WO disclosed
US-5482650-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed