SCHEMBL5221663

SCHEMBL5221663

C=C(C#N)C(=O)O.C=C(C#N)C(=O)OCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 2/20 0.54
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 6/20 0.37
PLA2G2A P14555 1/20 0.36

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
Ocrylate SCHEMBL20395024 1.00 TSHR (0.56) TSHRALDH1A1NAAAHCAR2RAD52
Enbucrilate SCHEMBL20395020 0.94 TSHR (0.58) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL719001 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL2903638 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL379519 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL35540 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL973728 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL3457991 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
Ocrylate SCHEMBL29891 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52
SCHEMBL15229291 0.94 TSHR (0.62) TSHRALDH1A1NAAAHCAR2RAD52

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238363-B2 Modification of medical prostheses BAYLOR COLLEGE OF MEDICINE (US) 2007-07-03 US disclosed
EP-1737378-A2 NOVEL MODIFICATION OF MEDICAL PROSTHESES Baylor College of Medicine (US) 2007-01-03 EP disclosed
US-20050271694-A1 Novel modification of medical prostheses BAYLOR COLLEGE OF MEDICINE 2005-12-08 US disclosed
WO-2005096990-A2 NOVEL MODIFICATION OF MEDICAL PROSTHESES BAYLOR COLLEGE OF MEDICINE (US) 2005-10-20 WO disclosed