SCHEMBL9201847

SCHEMBL9201847

Cc1cc(CCCCCOc2c(C)cc(-c3nc(C)no3)cc2C)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCARB1 Q8WTV0 5/20 0.35
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IGF1R P08069 3/20 0.32
FGFR1 P11362 3/20 0.32
KDR P35968 3/20 0.32
INSR P06213 1/20 0.32
AOC3 Q16853 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9204655 0.95 NR1I2 (0.61) NR1I2CYP3A4CYP2D6ACHEBCHE
SCHEMBL9210237 0.88 NR1I2 (0.44) NR1I2CYP3A4CYP2D6ACHEBCHE
SCHEMBL9207040 0.88 NR1I2 (0.44) NR1I2CYP3A4CYP2D6ACHEBCHE
SCHEMBL9705716 0.85 NR1I2 (0.53) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9209434 0.83 NR1I2 (0.52) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9201662 0.83 NR1I2 (0.49) NR1I2CYP3A4CYP2D6ACHEBCHE
SCHEMBL9200238 0.82 NR1I2 (0.48) NR1I2CYP3A4CYP2D6ACHEBCHE
SCHEMBL9202945 0.82 NR1I2 (0.67) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9436370 0.81 NR1I2 (0.53) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL10505425 0.80 NR1I2 (0.53) NR1I2CYP3A4CYP2D6MEN1KMT2A

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-0413289-B1 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC (US) 1995-02-01 EP claimed
US-5175178-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING DRUG INC. (US) 1992-12-29 US claimed
EP-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 EP claimed
JP-3130283-A None JP disclosed
EP-0413289-B1 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC (US) 1995-02-01 EP disclosed
US-5175178-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING DRUG INC. (US) 1992-12-29 US disclosed
JP-H03130283-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOOXAZOLE AND USE OF THE SAME AS ANTIVIRAL AGENTS STERLING DRUG INC 1991-06-04 JP disclosed
EP-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 EP disclosed
US-4942241-A PICORNAVIRUS INCLUDING RHINOVIRUS STERLING DRUG INC. (US) 1990-07-17 US disclosed