SCHEMBL11044529

SCHEMBL11044529

C=CCNCC(C)(C)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 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
SCHEMBL3675719 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL17308697 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL3675285 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL20233952 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL625054 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL10917355 0.73 TSHR (0.38) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL14353636 0.73 TSHR (0.46) ALDH1A1TSHR
SCHEMBL1067047 0.72 ALDH1A1 (0.44) ALDH1A1GAATSHR
SCHEMBL22353268 0.72 ALDH1A1 (0.44) ALDH1A1GAATSHR
SCHEMBL18674246 0.71 TDP1 (0.41) ALDH1A1KDM4EGAATSHR

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
JP-59084924-A None JP disclosed
JP-S5984924-A COMPOSITE ION EXCHANGE MEMBRANE ASAHI CHEM IND CO LTD 1984-05-16 JP disclosed