SCHEMBL16655538

SCHEMBL16655538

OCCCC1COc2cscc2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
MTNR1A P48039 2/20 0.31
LTA4H P09960 1/20 0.31
GAA P10253 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPGD P15428 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
SCHEMBL5730876 0.95 HTT (0.38) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL16654370 0.94 HTT (0.37) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL5731186 0.90 HTT (0.41) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL17272341 0.85 HTT (0.36) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL17272331 0.83 HTT (0.36) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL17272357 0.83 HTT (0.36) HTTPOLBALDH1A1SMN1; SMN2CA2
SCHEMBL419849 0.83 POLB (0.37) HTTPOLBALDH1A1CA2MTNR1A
SCHEMBL852082 0.82 ADRA2A (0.36) HTTALDH1A1SMN1; SMN2HTR1AADRA2A
SCHEMBL2297591 0.82 ADRA2A (0.36) HTTALDH1A1SMN1; SMN2HTR1AADRA2A
SCHEMBL2296536 0.82 ADRA2A (0.36) HTTALDH1A1SMN1; SMN2HTR1AADRA2A

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
WO-2015057645-A9 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-09-17 WO claimed
WO-2015057645-A1 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-04-23 WO claimed
US-20160251470-A1 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES NATIONAL SCIENCE FOUNDATION 2016-09-01 US disclosed
WO-2015057645-A9 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-09-17 WO disclosed
WO-2015057645-A1 ZWITTERIONIC POLYSACCHARIDE POLYMERS HAVING ANTIFOULING, ANTIMICROBIAL AND OPTICAL TRANSPARENCY PROPERTIES THE UNIVERSITY OF AKRON (US) 2015-04-23 WO disclosed