SCHEMBL5099352

SCHEMBL5099352

Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(CO)no1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
HDAC6 Q9UBN7 19/20 0.42
HDAC1 Q13547 15/20 0.42
HDAC8 Q9BY41 9/20 0.42
HDAC5 Q9UQL6 3/20 0.39
HDAC4 P56524 4/20 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
SCHEMBL8121315 0.93 NR1I2 (0.76) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8130108 0.91 NR1I2 (0.79) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL5099401 0.90 NR1I2 (0.77) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8137086 0.89 NR1I2 (0.76) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8120635 0.89 NR1I2 (0.76) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8874177 0.88 NR1I2 (0.74) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8874369 0.88 NR1I2 (0.74) NR1I2CYP3A4CYP2D6HDAC6HDAC1
Pleconaril SCHEMBL4656259 0.87 NR1I2 (1.00) NR1I2CYP3A4CYP2D6HDAC6HDAC1
Pleconaril SCHEMBL49383 0.87 NR1I2 (1.00) NR1I2CYP3A4CYP2D6HDAC6HDAC1
SCHEMBL8875401 0.87 NR1I2 (0.84) NR1I2CYP3A4CYP2D6HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371755-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2008-05-13 US disclosed
EP-0566199-B1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents SANOFI SA (FR) 2000-03-01 EP disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5349068-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1994-09-20 US disclosed
EP-0566199-A1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use a s antiviral agents STERLING WINTHROP INC. (US) 1993-10-20 EP disclosed