SCHEMBL3682679

SCHEMBL3682679

CCCCCCCCCCCC(OCCC)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMPD1 P17405 3/20 0.38
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
CA9 Q16790 7/20 0.37
GPR84 Q9NQS5 3/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
FDPS P14324 3/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
FFAR1 O14842 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL7706882 0.98 TP53 (0.43) TP53SMPD1CA1CA2CA9
SCHEMBL28339881 0.93 TP53 (0.44) TP53SMPD1CA1CA2CA9
SCHEMBL1974092 0.93 TP53 (0.44) TP53SMPD1CA1CA2CA9
Ammonia Solution, Strong SCHEMBL29166217 0.91 TP53 (0.43) TP53SMPD1CA1CA2CA9
Ammonia Solution, Strong SCHEMBL29166538 0.91 TP53 (0.43) TP53SMPD1CA1CA2CA9
SCHEMBL28677795 0.87 TP53 (0.50) TP53SMPD1CA1CA2GPR84
SCHEMBL11759627 0.87 TP53 (0.41) TP53CA1CA2CA9CA12
SCHEMBL8740084 0.87 TP53 (0.50) TP53SMPD1CA1CA2GPR84
SCHEMBL9822598 0.85 CA1 (0.41) TP53CA1CA2CA9CA12
SCHEMBL15345889 0.84 HDAC1 (0.37) TP53CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166837-A1 DRUG COMBINATION FOR THE TREATMENT OF SKIN DISORDERS Prugen, Inc. (US) 2010-03-31 EP disclosed
WO-2008156798-A1 DRUG COMBINATION FOR THE TREATMENT OF SKIN DISORDERS PRUGEN, INC. (US) 2008-12-24 WO disclosed
EP-0935411-A1 METHODS FOR PREPARING SPONTANEOUSLY WATER DISPERSABLE CARRIERS FOR PESTICIDES AND THEIR USE RHODIA INC. (US) 1999-08-18 EP disclosed
EP-0906080-A1 RINSE-OFF HAIR CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-04-07 EP disclosed
EP-0891135-A1 NONAQUEOUS SUSPENSION CONCENTRATES OF HIGHLY WATER-SOLUBLE SOLIDS RHODIA INC. (US) 1999-01-20 EP disclosed
WO-1998012920-A9 METHODS FOR PREPARING SPONTANEOUSLY WATER DISPERSIBLE CARRIERS FOR PESTICIDES AND THEIR USE 1998-09-03 WO disclosed
WO-1998012920-A1 METHODS FOR PREPARING SPONTANEOUSLY WATER DISPERSIBLE CARRIERS FOR PESTICIDES AND THEIR USE RHODIA, INC. (US) 1998-04-02 WO disclosed
WO-1998012921-A1 SPONTANEOUSLY WATER DISPERSIBLE CARRIER FOR PESTICIDES RHODIA INC. (US) 1998-04-02 WO disclosed
WO-1997034573-A1 RINSE-OFF HAIR CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997034475-A1 NONAQUEOUS SUSPENSION CONCENTRATES OF HIGHLY WATER-SOLUBLE SOLIDS RHODIA INC, (US) 1997-09-25 WO disclosed
WO-1997010803-A1 METHODS AND COMPOSITIONS FOR CONDITIONING SKIN AND HAIR STEPAN COMPANY (US) 1997-03-27 WO disclosed