SCHEMBL8657702

SCHEMBL8657702

O=C(OCCCCOc1c(Cl)cc(O)cc1Cl)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.63
LMNA P02545 3/20 0.51
ESR1 P03372 4/20 0.46
ESR2 Q92731 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLAU P00749 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CHRM1 P11229 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL8658023 0.97 TDP1 (0.58) TDP1LMNAESR1ESR2SLC6A2
SCHEMBL8409296 0.93 LMNA (0.53) TDP1LMNAESR1ESR2SLC6A2
SCHEMBL7073708 0.83 TDP1 (0.55) TDP1LMNAESR1SLC6A2SLC6A3
SCHEMBL7073022 0.83 L3MBTL1 (0.51) TDP1LMNAESR1SLC6A2KMT2A
SCHEMBL7078180 0.83 TDP1 (0.51) TDP1LMNAESR1ESR2SLC6A2
SCHEMBL8408253 0.83 HRH3 (0.51) TDP1LMNAESR1ESR2KMT2A
SCHEMBL7071169 0.82 L3MBTL1 (0.59) TDP1LMNAKMT2ATSHRCYP1A2
SCHEMBL8409166 0.80 ESR1 (0.43) TDP1LMNAESR1SLC6A2KMT2A
SCHEMBL8665082 0.80 TDP1 (0.51) TDP1LMNAESR1CNR2SMN1; SMN2
SCHEMBL7979207 0.80 GPR84 (0.51) LMNAKMT2ASMN1; SMN2PLAUALDH1A1

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