SCHEMBL25850607

SCHEMBL25850607

C=C(C=N)C(=O)OCCCCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
NAAA Q02083 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 3/20 0.38

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
SCHEMBL7774844 0.83 TSHR (0.61) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL7774916 0.81 TSHR (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL27816436 0.81 TSHR (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL11426458 0.81 TSHR (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL1375867 0.81 TSHR (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL10953969 0.81 TSHR (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL5146107 0.79 HCAR2 (0.64) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL5871624 0.78 TSHR (0.70) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL2133445 0.77 HCAR2 (0.65) TSHRNAAAHCAR2HPGDRAD52
SCHEMBL8029458 0.77 HCAR2 (0.65) TSHRNAAAHCAR2HPGDRAD52

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-4206185-A1 NOVEL CYANOACRYLATE DERIVATIVE AND COMPOSITION FOR EMBOLIC MATERIAL CONTAINING SAME Seoul National University R & DB Foundation (KR) 2023-07-05 EP disclosed