SCHEMBL28168708

SCHEMBL28168708

C=CC(=O)C(O)CNCOC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL28040899 0.80 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL3999858 0.76 TSHR (0.57) TSHRALDH1A1THRB
SCHEMBL28049835 0.72 KDM4E (0.38) TSHRALDH1A1
SCHEMBL11253036 0.72 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL3589369 0.70 THRB (0.48) TSHRALDH1A1THRB
SCHEMBL28452943 0.70 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL5576280 0.69 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL21056351 0.69 TSHR (0.52) TSHRALDH1A1THRB
SCHEMBL28102220 0.68 MGAM (0.40) TSHRALDH1A1
SCHEMBL11330084 0.67 TSHR (0.48) TSHRALDH1A1THRB

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-107111230-A Colored curable resin composition 东友精细化工有限公司 2017-08-29 CN disclosed