SCHEMBL2502019

SCHEMBL2502019

CCCCCCC(C[N+]1=Cc2ccccc2C(C)(C)C1)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.31
MMP12 P39900 4/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP1 P03956 3/20 0.30
MMP7 P09237 3/20 0.30
MMP13 P45452 3/20 0.30
ACE P12821 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL2510766 0.78 MAOB (0.37) MMP12MMP2MMP9MMP1MMP7
SCHEMBL52615 0.69 S1PR2 (0.32)
SCHEMBL2502022 0.67 ALDH1A1 (0.41) OPRL1
SCHEMBL14937382 0.65 CSNK1E (0.54) MMP2MMP1MMP7
SCHEMBL9460109 0.64 TP53 (0.54)
SCHEMBL7785566 0.64 TP53 (0.54)
SCHEMBL6128322 0.64 TP53 (0.54)
SCHEMBL10695349 0.64 TP53 (0.54)
SCHEMBL16395754 0.64 TP53 (0.54)
SCHEMBL11903709 0.64 TP53 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556140-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS The Procter & Gamble Company (US) 2013-02-13 EP disclosed
US-20120131754-A1 BLEACHING OF FOOD STAINS PROCTER & GAMBLE COMPANY, THE 2012-05-31 US disclosed
WO-2012071153-A1 IMPROVED BLEACHING OF FOOD STAINS THE PROCTER & GAMBLE COMPANY (US) 2012-05-31 WO disclosed
EP-2457988-A1 Improved bleaching of food stains The Procter & Gamble Company (US) 2012-05-30 EP disclosed
WO-2011127102-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO disclosed
US-20110240510-A1 OPTIMIZED RELEASE OF BLEACHING SYSTEMS IN LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY 2011-10-06 US disclosed