SCHEMBL9637609

SCHEMBL9637609

C=CCN(C=C(CC)C(=O)O)CC=C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL6050152 0.82 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL3283189 0.82 ALDH1A1 (0.33) ALDH1A1TSHRKDM4E
SCHEMBL526261 0.79 FFAR3 (0.35) TSHRKDM4E
Acrylamide SCHEMBL8006291 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL327210 0.75 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL6446570 0.75 CA12 (0.32) TSHR
SCHEMBL327209 0.75 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL10784885 0.74 ALDH1A1 (0.37) ALDH1A1KDM4E
SCHEMBL9314490 0.72
SCHEMBL7630004 0.72 CA12 (0.36) ALDH1A1TSHR

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
EP-0356592-B1 PROCESS FOR PRODUCING EMULSION POLYMER COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-01 EP claimed