SCHEMBL8746602

SCHEMBL8746602

C=C(C)C(=O)OCCCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.59
TBXAS1 P24557 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FKBP1A P62942 3/20 0.47
CYP2A6 P11509 1/20 0.47
HRH1 P35367 2/20 0.45
MTOR P42345 1/20 0.45
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45

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
SCHEMBL29717321 0.91 CHRNA7 (0.48) CHRNA7TBXAS1L3MBTL1TDP1
SCHEMBL11150544 0.91 CHRNA7 (0.48) CHRNA7TBXAS1L3MBTL1TDP1
SCHEMBL2954088 0.87 CHRNA7 (0.63) CHRNA7TBXAS1L3MBTL1TDP1FKBP1A
SCHEMBL774736 0.84 KMT2A (0.50) TBXAS1TDP1
SCHEMBL148938 0.83 LMNA (0.60) TDP1
SCHEMBL1921399 0.82 TSHR (0.49) CHRNA7TDP1HRH1
Lithium SCHEMBL30708617 0.82 LMNA (0.58) TDP1
SCHEMBL8653753 0.82 CHRNA7 (0.61) CHRNA7TBXAS1L3MBTL1TDP1FKBP1A
SCHEMBL8194733 0.82 CHRNA7 (0.57) CHRNA7TBXAS1L3MBTL1TDP1FKBP1A
SCHEMBL27609100 0.82 TDP1 (0.46) CHRNA7L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503780-B1 Polymerizable metal-azo and metal-azomethine dyes MINNESOTA MINING & MFG (US) 1997-01-08 EP disclosed
EP-0508573-B1 Transfer imaging using metal-azo and metal-azomethine dyes MINNESOTA MINING & MFG (US) 1995-06-07 EP disclosed
EP-0432995-B1 Crosslinked pyridinio-acrylate-polymers SMITH KLINE FRENCH LAB (GB) 1995-02-22 EP disclosed
US-5180705-A Monoazo or methine metallized dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-19 US disclosed
US-5166326-A POLYMERIZABLE METAL-AZO AND METAL-AZOMETHINE DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-11-24 US disclosed
EP-0508573-A1 Transfer imaging using metal-azo and metal-azomethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-14 EP disclosed
EP-0503780-A1 Polymerizable metal-azo and metal-azomethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP disclosed
US-5098701-A Copolymers for treatment of coronary heart disease SMITHKLINE & FRENCH LABORATORIES, LTD. (GB) 1992-03-24 US disclosed
EP-0432995-A1 Crosslinked pyridinio-acrylate-polymers SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-06-19 EP disclosed