SCHEMBL11209538

SCHEMBL11209538

CCOP(=O)(Cc1ccc(S(=O)(=O)F)cc1)OCC.O=S(=O)(F)c1ccc(CCl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPY5R Q15761 1/20 0.38
PTK2 Q05397 3/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
BTK Q06187 2/20 0.32
HDAC1 Q13547 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL11364588 0.93 F2 (0.43) F2TMPRSS4TSHRTP53CYP1A2
SCHEMBL11408409 0.88 F2 (0.40) F2TMPRSS4TSHRTP53CYP1A2
SCHEMBL3393833 0.86 NPY5R (0.42) TSHRTP53NPY5RPTK2TLR8
SCHEMBL8670594 0.80 NPY5R (0.41) TSHRNPY5RPTK2TLR8TLR7
SCHEMBL1575569 0.79 NPY5R (0.40) TSHRNPY5RPTK2CCNT1CDK9
SCHEMBL11205634 0.78 F2 (0.57) F2TMPRSS4TSHRTP53CYP1A2
SCHEMBL3375825 0.78 TSHR (0.50) TSHRTP53NPY5RPTK2TLR8
SCHEMBL11204539 0.77 F2 (0.46) F2TMPRSS4TSHRTP53CYP1A2
SCHEMBL2637113 0.77 PTPRZ1 (0.49) TSHRNPY5RPTK2CCNT1CDK9
SCHEMBL11201920 0.75 CCNT1 (0.42) TSHRNPY5RCCNT1CDK9BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033827-B1 PREPARATION OF FLUORSULFONYL BENZYL PHOSPHONIC ACID ESTERS AND NEW FLUORSULFONYL BENZYL PHOSPHONIC ACID ESTERS BAYER AG (DE) 1983-05-11 EP disclosed
EP-0033827-A1 Preparation of fluorsulfonyl benzyl phosphonic acid esters and new fluorsulfonyl benzyl phosphonic acid esters BAYER AG (DE) 1981-08-19 EP disclosed