SCHEMBL4621206

SCHEMBL4621206

COc1c(Cl)cc(OCC=C(Cl)Cl)cc1CC=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
IMPDH2 P12268 3/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
GALK1 P51570 1/20 0.32
CYP2C19 P33261 2/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
ERN1 O75460 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TPMT P51580 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL4502807 0.86 HTT (0.37) HTTIMPDH2KMT2ACYP1A2ALDH1A1
SCHEMBL13614127 0.85 HTT (0.42) HTTIMPDH2KMT2ACYP1A2ALDH1A1
SCHEMBL4619534 0.83 HTT (0.37) HTT
SCHEMBL4505232 0.82 ALDH1A1 (0.39) HTTCYP1A2ALDH1A1KDM4EGAA
SCHEMBL6547683 0.80 HTT (0.40) HTTTUBB1
SCHEMBL4505005 0.78 HTT (0.41) HTTIMPDH2KMT2AALDH1A1KDM4E
SCHEMBL4621204 0.78 HTT (0.44) HTTIMPDH2KMT2AALDH1A1KDM4E
SCHEMBL4125338 0.78 HTT (0.39) HTTIMPDH2CYP1A2ALDH1A1CYP2D6
SCHEMBL8407690 0.77 HTT (0.41) HTT
SCHEMBL4518577 0.77 HTT (0.40) HTTKMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 WO disclosed