SCHEMBL4884474

SCHEMBL4884474

O=C(O)CSSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGLL Q99685 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CXCL12 P48061 1/20 0.47
ALDH1A1 P00352 3/20 0.45
APEX1 P27695 1/20 0.44
PAM P19021 3/20 0.44
CYP1A2 P05177 1/20 0.42
CDC25B P30305 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.39

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
SCHEMBL9911965 0.83 MAPT (0.47) FFAR1MAPTHPGDSMN1; SMN2MGLL
SCHEMBL27726353 0.81 MEN1 (0.50) FFAR1HPGDHSD17B10CYP2D6CYP2C19
SCHEMBL1395738 0.80 ALDH1A1 (0.57) FFAR1MAPTHPGDSMN1; SMN2MGLL
SCHEMBL74365 0.76 FFAR1 (1.00) FFAR1MAPTHSD17B10CYP2C19CXCL12
SCHEMBL18726566 0.75 ALDH1A1 (0.67) FFAR1MAPTHPGDSMN1; SMN2MGLL
SCHEMBL15571433 0.74 FFAR1 (0.95) FFAR1MAPTHSD17B10CYP2C19CXCL12
SCHEMBL15570635 0.74 FFAR1 (0.95) FFAR1MAPTHSD17B10CYP2C19CXCL12
Ammonia Solution, Strong SCHEMBL6255246 0.74 FFAR1 (0.95) FFAR1MAPTHSD17B10CYP2C19CXCL12
SCHEMBL15572345 0.74 FFAR1 (0.95) FFAR1MAPTHSD17B10CYP2C19CXCL12
SCHEMBL15571405 0.74 FFAR1 (0.95) FFAR1MAPTHSD17B10CYP2C19CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361712-B2 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2008-04-22 US disclosed
US-20050080194-A1 Water absorbing agent, process for its production, and absorbers and absorbent articles made by using the agent SAN-DIA POLYMERS, LTD. (JP) 2005-04-14 US disclosed
EP-1457541-A1 WATER ABSORBING AGENT, PROCESS FOR ITS PRODUCTION, AND ABSORBERS AND ABSORBENT ARTICLES MADE BY USING THE AGENT San-Dia Polymers, Ltd. (JP) 2004-09-15 EP disclosed