SCHEMBL9243135

SCHEMBL9243135

CC(C1CC1)C(O)(Cn1cncn1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
CYP3A4 P08684 10/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 9/20 0.39
CYP2C19 P33261 9/20 0.39
LMNA P02545 2/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP3A7 P24462 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 6/20 0.37
CYP2D6 P10635 6/20 0.37
KCNH2 Q12809 2/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL10738451 0.87 CYP3A4 (0.46) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL20791 0.81 KMT2A (0.53) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL13014891 0.81 KMT2A (0.53) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL28950859 0.81 KMT2A (0.53) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL3685487 0.81 KMT2A (0.53) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL23532643 0.81 KMT2A (0.52) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL28396979 0.81 KMT2A (0.52) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL9004868 0.81 HSP90AA1 (0.44) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL28839157 0.81 KMT2A (0.52) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19
Cyproconazole SCHEMBL27846722 0.81 KMT2A (0.52) HSP90AA1CYP3A4ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287346-B1 FUNGICIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-24 EP claimed
EP-0358663-B1 FUNGICIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-24 EP claimed
US-4987142-A FORMULATIONS HAVING REDUCED EYE IRRITATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-22 US claimed
EP-0358663-A1 FUNGICIDE COMPOSITIONS. DU PONT (US) 1990-03-21 EP claimed
WO-1988007814-A1 FUNGICIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-20 WO claimed
EP-0287346-A1 Fungicide compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-19 EP claimed
CN-103502519-B Be attached with the carbon fiber precursor acrylic series fiber bundle of oil agent composition and manufacture method thereof and carbon fiber precursor acrylic series fiber oil agent composition and carbon fiber precursor acrylic series fiber oil agent composition dispersion liquid MITSUBISHI RAYON CO.,LTD. (JP) 2015-08-12 CN disclosed
CN-103502519-A Carbon-fiber-precursor acrylic fiber bundle with oil composition adhering thereto, process for producing same, oil composition for carbon-fiber-precursor acrylic fiber, and oil composition dispersion for carbon-fiber-precursor acrylic fiber MITSUBISHI RAYON CO 2014-01-08 CN disclosed
US-H1400-H Synergistic CULBREATH ALBERT K (US) 1995-01-03 US disclosed
EP-0287346-B1 FUNGICIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-24 EP disclosed
EP-0358663-B1 FUNGICIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-24 EP disclosed
US-4987142-A FORMULATIONS HAVING REDUCED EYE IRRITATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-22 US disclosed
EP-0287346-A1 Fungicide compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-19 EP disclosed