SCHEMBL11049984

SCHEMBL11049984

C=CC(=O)N1CCN(C(=O)C=C)C1=O.C=CC(=O)NCOCNC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TEAD3 Q99594 1/20 0.32
TGM2 P21980 3/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL2279803 0.79 ACHE (0.33) TSHRMAPK1TEAD3
SCHEMBL844941 0.77 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL10626929 0.71 TSHR (0.56) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL31364136 0.71 RAB9A (0.40) ALDH1A1TSHRMAPK1TDP1
SCHEMBL9786661 0.69 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1TGM2
Ether SCHEMBL8375535 0.69 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1TGM2
Ethylene Glycol SCHEMBL5904195 0.67 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL34047 0.66
SCHEMBL28214296 0.66 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL251019 0.66 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486532-A IMMOBILIZATION OF FUMARASE-PRODUCING MICROORGANISM TNANBE SEIYAKU CO., LTD. (JP) 1984-12-04 US disclosed