SCHEMBL8995431

SCHEMBL8995431

CCCCCOC(CO)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 8/20 0.39
USP2 O75604 1/20 0.39
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL11220835 0.98 USP2 (0.42) ALDH1A1CNR1CNR2CA1CA2
SCHEMBL11759627 0.85 TP53 (0.41) CA1CA2CA9CA12CA7
SCHEMBL10549042 0.85 CA1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL11233738 0.84 TP53 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL9822598 0.83 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL1974092 0.83 TP53 (0.44) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL29166217 0.81 TP53 (0.43) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL29166538 0.81 TP53 (0.43) CA1CA2CA9CA12CA7
SCHEMBL28339881 0.79 TP53 (0.44) CA1CA2CA9CA12CA7
SCHEMBL1081683 0.79 S1PR1 (0.41) CA1CA2CA9CA12CA7

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
CN-1035266-C Stable pumpable synthetic detergent composition and process for the storage thereof PROCTER & GAMBLE (US) 1997-06-25 CN claimed
EP-0625182-B1 STABLE PUMPABLE SYNTHETIC DETERGENT COMPOSITION AND PROCESS FOR THE STORAGE THEREOF PROCTER & GAMBLE (US) 1996-07-31 EP claimed
EP-0625182-A1 STABLE PUMPABLE SYNTHETIC DETERGENT COMPOSITION AND PROCESS FOR THE STORAGE THEREOF. PROCTER & GAMBLE (US) 1994-11-23 EP claimed
CN-1075982-A Stable pumpability synthetic detergent composition and preserving method thereof PROCTER & GAMBLE (US) 1993-09-08 CN claimed
WO-1993016155-A1 STABLE PUMPABLE SYNTHETIC DETERGENT COMPOSITION AND PROCESS FOR THE STORAGE THEREOF THE PROCTER & GAMBLE COMPANY (US) 1993-08-19 WO claimed
CN-102180814-A Microwave synthesis method of sodium fatty acyloxy isethionate ZHEJIANG ZANYU TECHNOLOGY CO 2011-09-14 CN disclosed
CN-102180814-A Microwave synthesis method of sodium fatty acyloxy isethionate ZHEJIANG ZANYU TECHNOLOGY CO 2011-09-14 CN disclosed