SCHEMBL8408672

SCHEMBL8408672

Cc1cc(OCC=C(Cl)Cl)cc(Br)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 3/20 0.32
ALOX5 P09917 2/20 0.32
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 2/20 0.31
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
MCL1 Q07820 1/20 0.30
LCK P06239 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL7976299 0.89 HTT (0.41) HTTMAPTSMN1; SMN2PTGS2ALOX5
SCHEMBL8067294 0.89 HTT (0.44) HTTPTGS2ALOX5PTGS1MCL1
SCHEMBL8407153 0.86 PTGS2 (0.33) PTGS2ALOX5ALDH1A1PTGS1PTPN1
SCHEMBL7979193 0.83 HTT (0.37) HTTLCK
SCHEMBL7075218 0.83 HTT (0.40) HTTSMN1; SMN2PTGS2PTGS1MCL1
SCHEMBL8408462 0.82 HTT (0.40) HTTMAPTSMN1; SMN2PTGS2ALOX5
SCHEMBL8408852 0.81 HTT (0.36) HTTALOX5PTGS1
SCHEMBL8405332 0.81 HTT (0.39) HTTPTGS2ALOX5PTGS1MCL1
SCHEMBL8409112 0.81 GABRA1 (0.39) HTTLCKPRKACAPRKACGPRKACB
SCHEMBL8408830 0.80 HTT (0.41) HTTMAPTPTGS2ALOX5ALDH1A1

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