SCHEMBL9353306

SCHEMBL9353306

C=CC(=O)NCOCC=CC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TGM2 P21980 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL251019 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL844941 0.80 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10626929 0.78 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL34047 0.76
SCHEMBL9786661 0.76 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL422328 0.75 ZDHHC20 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ether SCHEMBL8375535 0.75 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL125985 0.74
SCHEMBL9353581 0.73 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9353586 0.73 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541588-B1 USE OF POLYMERIZATES CONTAINING N-(ALKYLOXY-POLYALKOXYMETHYL)CARBONAMIDE GROUPS AS ADDITIVES TO WASHING AND CLEANING AGENTS BASF AG (DE) 1994-10-19 EP disclosed
WO-1992002606-A1 USE OF POLYMERIZATES CONTAINING N-(ALKYLOXY-POLYALKOXYMETHYL)CARBONAMIDE GROUPS AS ADDITIVES TO WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1992-02-20 WO disclosed