SCHEMBL28526305

SCHEMBL28526305

C=CC(=O)C(C)(N)C(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
FGFR4 P22455 1/20 0.40
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12962524 0.82
SCHEMBL27792714 0.81 DGAT1 (0.35) ALDH1A1TSHRFGFR4
SCHEMBL1633648 0.80
SCHEMBL28025086 0.80
SCHEMBL29211159 0.75 ALDH1A1 (0.44) ALDH1A1TSHRFGFR4LMNATHRA
SCHEMBL1142747 0.75
SCHEMBL27754651 0.74
SCHEMBL12962525 0.74
SCHEMBL27997161 0.74
Ammonia Solution, Strong SCHEMBL6569481 0.73

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-112457491-A Hyperbranched polyamide-amine HPAA and preparation method and application thereof 华南师范大学 2021-03-09 CN disclosed