SCHEMBL28510587

SCHEMBL28510587

O=C(O)C=COCCOC=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HCAR2 Q8TDS4 9/20 0.39
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
BLM P54132 2/20 0.38
LMNA P02545 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTH P32929 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7178599 0.88 HCAR2 (0.39) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL29022873 0.87 HCAR2 (0.44) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL5488527 0.87
SCHEMBL17049105 0.85 TSHR (0.36) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL3990293 0.85
SCHEMBL5489821 0.85
SCHEMBL31250060 0.84 HSD17B10 (0.33) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL131247 0.84 TSHR (0.43) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL7249232 0.83 TSHR (0.41) TSHRTP53EGLN1EGLN3HCAR2
SCHEMBL9203010 0.81 HCAR2 (0.57) TSHRHCAR2NPSR1

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-109071960-B Silicon-containing heterocyclic matting agents, compounds and polymers 富士胶片和光纯药株式会社 2021-01-12 CN disclosed