SCHEMBL8655768

SCHEMBL8655768

ClC(Cl)=CCOc1cc(Cl)c(OCCCCSc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 6/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PKM P14618 1/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 1/20 0.36
ALDH3A1 P30838 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8408765 0.96 DRD2 (0.37) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL8658413 0.93 HPGD (0.39) ALDH1A1KDM4EDRD2DRD4HPGD
SCHEMBL8657516 0.92 LMNA (0.33) ALDH1A1LMNAHTT
SCHEMBL8655649 0.90 PPARG (0.37) ALDH1A1KDM4EPKMKMT2AHPGD
SCHEMBL8661839 0.88 PPARD (0.38) DRD2DRD3KMT2ALMNAHTT
SCHEMBL8660335 0.87 PPARD (0.36) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL8992644 0.87 HTR1A (0.33) ALDH1A1DRD2DRD3MEN1KMT2A
SCHEMBL8658039 0.87 PLAU (0.35) ALDH1A1TP53HPGDL3MBTL1LMNA
SCHEMBL8405697 0.86 HTT (0.42) ALDH1A1DRD2DRD4DRD3ALDH3A1
SCHEMBL8656070 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AHPGDMAPT

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-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed