SCHEMBL8407153

SCHEMBL8407153

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 2/20 0.32
PTGS1 P23219 2/20 0.32
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL7979194 0.90 PTGS1 (0.37) PTGS2ALOX5ALDH1A1PTGS1LMNA
SCHEMBL7979182 0.88 CYP3A4 (0.38) PTGS2ALOX5ALDH1A1PTPN1TSHR
SCHEMBL8408672 0.86 HTT (0.39) PTGS2ALOX5ALDH1A1PTGS1PTPN1
SCHEMBL7981782 0.83 MCL1 (0.33) PTGS2PTGS1LMNATSHRHPGD
SCHEMBL8409231 0.83 ALDH1A1 (0.31) PTGS2ALOX5ALDH1A1PTGS1
SCHEMBL8406057 0.81 PTPN1 (0.35) PTGS2ALOX5ALDH1A1PTPN1LMNA
SCHEMBL8405440 0.81 ALDH1A1 (0.33) PTGS2ALOX5ALDH1A1PTGS1LMNA
SCHEMBL8405435 0.81 PTGES (0.31) ALOX5PTGS1
SCHEMBL7979310 0.81 ERN1 (0.34)
SCHEMBL8408990 0.80 THRA (0.38) ALDH1A1LMNA

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