SCHEMBL7861833

SCHEMBL7861833

CCOC(=O)c1cnn(-c2ccc(OCC(C)C)c(C#N)c2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.46
HTT P42858 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
TARBP2 Q15633 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL7861879 0.89 ALDH1A1 (0.56) XDHHTTKDM4EALDH1A1
SCHEMBL7865140 0.88 XDH (0.54) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL7860431 0.87 XDH (0.54) XDHHTTKDM4EALDH1A1
SCHEMBL5415067 0.79 XDH (0.58) XDH
SCHEMBL5407349 0.79 XDH (0.54) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL28986731 0.76 NOTUM (0.56) XDH
SCHEMBL7860451 0.76 ALDH1A1 (0.56) XDHHTTKDM4EALDH1A1
SCHEMBL7865070 0.75 ALDH1A1 (0.61) HTTKDM4EALDH1A1
SCHEMBL4718687 0.75 XDH (0.56) XDHSLC22A12ALDH1A1ABCC4ABCB11
SCHEMBL5419342 0.75 XDH (0.63) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936217-B1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF WELFIDE CORP (JP) 2001-11-07 EP disclosed
US-6015829-A 1-phenylpyrazole compounds and medicinal application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
EP-0936217-A1 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-08-18 EP disclosed