SCHEMBL10401047

SCHEMBL10401047

O=C(OCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.49
MAOB P27338 1/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13883939 0.89 MAOB (0.51) CA2MAOBMMP1MMP2MMP9
SCHEMBL7607840 0.86 CA2 (0.50) CA2CA1MAOBMMP1MMP2
SCHEMBL5604684 0.84 MAOB (0.53) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL10400981 0.84 MMP1 (0.47) CA2MAOBMMP1MMP2MMP9
SCHEMBL10880694 0.81 CA2 (0.44) CA2CA1MAOBMMP1MMP2
SCHEMBL10400339 0.80 CA1 (0.43) CA2CA1L3MBTL1KMT2ANPSR1
SCHEMBL10400833 0.79 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL10400916 0.78 RAB9A (0.47) CA2CA1ALDH1A1HTTL3MBTL1
SCHEMBL5583251 0.78 MAOB (0.53) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL5583377 0.78 MAOB (0.57) MAOBALDH1A1HTTTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046028-B1 IMAGING PROCESS AND ARTICLE EMPLOYING PHOTOLABILE, BLOCKED SURFACTANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-05-07 EP claimed
EP-0046028-A2 Imaging process and article employing photolabile, blocked surfactant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP claimed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP disclosed