SCHEMBL7856508

SCHEMBL7856508

O=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.33
ADH1C P00326 4/20 0.33
ADH1B P00325 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ADH4 P08319 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
SCHEMBL12256397 0.83 ADH1A (0.35) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL2202660 0.82 SERPINE1 (0.36) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL9609283 0.79 NPSR1 (0.30)
SCHEMBL22904993 0.78 ALDH1A1 (0.44) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL13605168 0.77 ADH1A (0.38) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL14606233 0.77 ALDH1A1 (0.35) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL18572499 0.77 ADH1B (0.32) ADH1AADH1CADH1B
SCHEMBL12452688 0.77 ADH1C (0.32) ADH1AADH1CADH1BKDM4EMEN1
SCHEMBL11345793 0.75 MEN1 (0.33) KDM4EMEN1ALDH1A1KMT2APOLB
SCHEMBL13605169 0.74 ADH1A (0.34) ADH1AADH1CADH1BKDM4EMEN1

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
EP-0861210-B1 USE OF SULFONAMIDES FOR CONTROLLING BIOFOULING BUCKMAN LABOR INC (US) 2001-12-12 EP claimed
EP-0861210-B1 USE OF SULFONAMIDES FOR CONTROLLING BIOFOULING BUCKMAN LABOR INC (US) 2001-12-12 EP disclosed
US-6211172-B1 ADHESION PREVENTION OF BACTERIA ON SHIP HULLS BUCKMAN LABORATORIES INTERNATIONAL, INC. 2001-04-03 US disclosed
EP-0861210-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1998-09-02 EP disclosed
WO-1997011913-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1997-04-03 WO disclosed