SCHEMBL8079136

SCHEMBL8079136

C=C(C)C(=O)OCCCN(C)C.C=CC(=O)NCCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
DNM1 Q05193 1/20 0.35
TGM2 P21980 1/20 0.35
FOXO1 Q12778 1/20 0.35
PAOX Q6QHF9 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CBLB Q13191 1/20 0.33
HPGD P15428 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
SCHEMBL9063834 0.95 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2KDM4EALDH1A1
SCHEMBL17345313 0.87 TSHR (0.50) TSHRZDHHC20ZDHHC2ALDH1A1HTT
SCHEMBL831143 0.86 THRB (0.38) TSHRZDHHC20ZDHHC2KDM4EALDH1A1
SCHEMBL17347982 0.86 TSHR (0.53) TSHRZDHHC20ZDHHC2ALDH1A1HTT
SCHEMBL17522072 0.85 ZDHHC20 (0.43) TSHRZDHHC20ZDHHC2KDM4EALDH1A1
SCHEMBL17347983 0.84 TSHR (0.56) TSHRZDHHC20ZDHHC2KDM4EALDH1A1
SCHEMBL18855009 0.84 TSHR (0.56) TSHRZDHHC20ZDHHC2KDM4EALDH1A1
SCHEMBL21496227 0.84 TSHR (0.47) TSHRZDHHC20ZDHHC2ALDH1A1HTT
Acrylic Acid SCHEMBL28238870 0.83 TSHR (0.49) TSHRKDM4EALDH1A1HTTTHRB
SCHEMBL21611 0.82 ZDHHC20 (0.58) TSHRZDHHC20ZDHHC2KDM4EALDH1A1

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
EP-0707061-B1 Method for preserving a suspension of cells or immobilized cells MITSUBISHI RAYON CO (JP) 2000-08-16 EP disclosed
US-5705382-A IMMOBILIZED CELLS IN PARTICLES NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-01-06 US disclosed
EP-0707061-A1 Method for preserving a suspension of cells or immobilized cells NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-04-17 EP disclosed