SCHEMBL8377170

SCHEMBL8377170

CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C(C)(C)C)c1O.COC(=O)c1ccc([P+](C)(c2ccc(C(=O)OC)cc2)c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CA14 Q9ULX7 5/20 0.40
FBP1 P09467 1/20 0.39
WDR5 P61964 1/20 0.38
PTGS2 P35354 4/20 0.38
CA7 P43166 1/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS1 P23219 1/20 0.36
VCAM1 P19320 1/20 0.36

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
SCHEMBL8373609 0.96 PTGS2 (0.42) CA12CA1CA2CA9CA14
SCHEMBL8374434 0.84 CA1 (0.46) CA1CA2ALDH1A1
SCHEMBL8375647 0.82 PTGS2 (0.47) CA1CA2PTGS2POLBALDH1A1
SCHEMBL8373575 0.81 PTGS2 (0.36) CA1CA2PTGS2POLBALDH1A1
SCHEMBL8378062 0.81 MAPT (0.44) CA1CA2PTGS2POLBALDH1A1
SCHEMBL8374286 0.81 PTGS2 (0.46) CA1CA2PTGS2POLBALDH1A1
SCHEMBL10484503 0.79 TSHR (0.45) CA12CA1CA2CA9CA14
SCHEMBL10484394 0.79 TSHR (0.45) CA12CA1CA2CA9CA14
SCHEMBL10484442 0.78 TDP1 (0.57) CA12CA1CA2CA9CA14
SCHEMBL8374168 0.77 POLB (0.41) PTGS2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720066-B1 Toners and developers containing quaternary phosphonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonates as charge-control agents EASTMAN KODAK CO (US) 1999-03-10 EP disclosed
EP-0720066-A1 Toners and developers containing quaternary phosphonium 3,5-di-tertiary-alkyl-4-hydroxybenzenesulfonates as charge-control agents EASTMAN KODAK COMPANY (US) 1996-07-03 EP disclosed
US-5508140-A ELECTROSTATOGRAPHIC; THERMAL STABILITY AND GOOD CHARGING PROPERTIES EASTMAN KODAK COMPANY (US) 1996-04-16 US disclosed