SCHEMBL8409335

SCHEMBL8409335

CCc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL8408512 0.96 HTT (0.36) HTTTP53MAPK1CYP1A2POLB
SCHEMBL8408496 0.92 HTT (0.40) HTTKDM4EALDH1A1GAAMAPT
SCHEMBL8406003 0.91 HTT (0.37) HTTMCL1KDM4EALDH1A1GAA
SCHEMBL8405371 0.90 HTT (0.36) HTTTP53MAPK1CYP1A2CYP2D6
SCHEMBL8405401 0.89 HTT (0.38) HTTTP53MAPK1CYP1A2POLB
SCHEMBL7632961 0.89 HTT (0.36) HTTTP53MAPK1MCL1KDM4E
SCHEMBL7975746 0.89 HTT (0.36) HTTMCL1
SCHEMBL8405907 0.89 HTT (0.36) HTTMCL1KDM4EALDH1A1
SCHEMBL8564449 0.88 HTT (0.39) HTTTP53MAPK1KDM4EALDH1A1
SCHEMBL7977565 0.88 HTT (0.35) HTTMCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
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