SCHEMBL8898049

SCHEMBL8898049

Cc1ccc(C(=O)O)c(S(=O)(=O)O)c1[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP2D6 P10635 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
NOTUM Q6P988 1/20 0.34
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
MCL1 Q07820 1/20 0.34
GLO1 Q04760 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL5655745 0.85 CYP2D6 (0.41) ALOX15CYP2D6PHLPP2CYP1A2ALDH1A1
SCHEMBL893883 0.81 ALDH1A1 (0.43) HAAOALOX15CYP2D6PHLPP2CYP1A2
Ammonia Solution, Strong SCHEMBL19742889 0.79 ALOX15 (0.40) HAAOALOX15CYP2D6PHLPP2CYP1A2
Ammonia Solution, Strong SCHEMBL19742890 0.79 ALOX15 (0.40) HAAOALOX15CYP2D6PHLPP2CYP1A2
SCHEMBL28018875 0.76 CYP2D6 (0.49) HAAOALOX15CYP2D6PHLPP2CYP1A2
SCHEMBL11619798 0.74 ALDH1A1 (0.55) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL8899905 0.73 PTPN1 (0.35) ALOX15CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL27549564 0.73 ALOX15 (0.58) ALOX15CYP2D6ALDH1A1HSD17B10KDM4E
SCHEMBL150520 0.73 CYP2D6 (0.38) ALOX15CYP2D6PHLPP2CYP1A2ALDH1A1
SCHEMBL29441334 0.73 CYP2D6 (0.38) ALOX15CYP2D6PHLPP2CYP1A2ALDH1A1

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-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP claimed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO claimed
US-5599782-A LOW MOLECULAR WEIGHT POLYESTER ANTISOILANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-04 US disclosed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP disclosed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO disclosed