SCHEMBL27363772

SCHEMBL27363772

CC(C)CONC(C(=O)O)C(C)C=C=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL27465158 0.86 CA12 (0.33) TSHR
SCHEMBL27654742 0.80 PPARG (0.35) TSHR
SCHEMBL3741276 0.78 NPC1 (0.41)
SCHEMBL6305310 0.75
SCHEMBL5919315 0.72 MDM4 (0.39)
SCHEMBL1287361 0.69 CYP2D6 (0.34) TSHR
SCHEMBL20335124 0.64 GAA (0.44) TSHR
SCHEMBL27810673 0.61 SLC7A5 (0.48)
SCHEMBL6010216 0.61 KDM4E (0.37)
SCHEMBL5080360 0.60

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
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed