SCHEMBL4388778

SCHEMBL4388778

CCCCC(=C(CC#N)C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
NR1I2 O75469 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
PDE4B Q07343 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9408920 0.78 PDE4B (0.49) PTGS2KDM4ECRHBPHTTCRHR2
SCHEMBL246300 0.78 PTGS2 (0.46) PTGS2NR1I2KDM4ECRHBPHTT
SCHEMBL9214719 0.77 PTGS2 (0.46) PTGS2NR1I2PDE4BHDAC3HDAC1
SCHEMBL28376128 0.77 PTGS2 (0.50) PTGS2NR1I2KDM4ECRHBPHTT
SCHEMBL25303952 0.75 NR1I2 (0.54) PTGS2NR1I2PDE4BHDAC3HDAC1
SCHEMBL303214 0.75 NR1I2 (0.54) PTGS2NR1I2PDE4BHDAC3HDAC1
SCHEMBL8523377 0.73 THRB (0.49) PDE4BHDAC3HDAC1HDAC2CA1
SCHEMBL10591928 0.73 NR1I2 (0.47) PTGS2NR1I2PDE4BHDAC3HDAC1
SCHEMBL7119167 0.72 HPGD (0.47) PTGS2NR1I2KDM4EPDE4BHDAC3
SCHEMBL135620 0.71 HDAC3 (0.59) PDE4BHDAC3HDAC1HDAC2CES2

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-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
US-4798822-A PHOTOSTABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1989-01-17 US disclosed
US-4661594-A PHOTODEGRADATION INHIBITION CIBA-GEIGY CORPORATION (US) 1987-04-28 US disclosed