SCHEMBL7861820

SCHEMBL7861820

CCCCCCCCN(CCCCCCCC)S(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
FAAH O00519 11/20 0.42
CES1 P23141 10/20 0.42
CES2 O00748 4/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29144968 0.94 CA1 (0.43) EPHX1FAAHCES1CES2MEN1
SCHEMBL1319470 0.91 EPHX1 (0.39) EPHX1FAAHCES1CES2MEN1
SCHEMBL2203447 0.83 EPHX1 (0.46) EPHX1FAAHCES1CES2
SCHEMBL5586239 0.83 EPHX1 (0.46) EPHX1FAAHCES1CES2
SCHEMBL19099806 0.83 EPHX1 (0.46) EPHX1FAAHCES1CES2
SCHEMBL5586198 0.83 EPHX1 (0.46) EPHX1FAAHCES1CES2
SCHEMBL31126318 0.82 CA1 (0.52) EPHX1MEN1KMT2A
SCHEMBL16519736 0.81 CES1 (0.41) EPHX1FAAHCES1CES2MEN1
SCHEMBL12891818 0.78 CES1 (0.36) EPHX1FAAHCES1CES2MEN1
SCHEMBL11345572 0.78 S1PR2 (0.49)

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 7 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-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1998-09-02 EP claimed
WO-1997011913-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1997-04-03 WO 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