SCHEMBL8408530

SCHEMBL8408530

CC(C)Oc1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.38
LTA4H P09960 2/20 0.38
NR5A1 Q13285 1/20 0.38
PPARD Q03181 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NSD2 O96028 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8657247 0.97 PLAU (0.44) PLAUALDH1A1KDM4EKMT2AADRB2
SCHEMBL8405988 0.92 PLAU (0.38) PLAUALDH1A1KDM4EKMT2AADRB2
SCHEMBL8405793 0.89 KDM4E (0.39) PLAUALDH1A1KDM4EKMT2AADRB2
SCHEMBL8408949 0.87 KDM4E (0.52) PLAUALDH1A1KDM4EKMT2APPARD
SCHEMBL8409368 0.86 PLAU (0.42) PLAUKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL8408528 0.85 MRGPRX4 (0.40) ALDH1A1KDM4EKMT2ALTA4HNR5A1
SCHEMBL8405533 0.85 KDM4E (0.52) PLAUALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL8405687 0.84 PLAU (0.39) PLAUALDH1A1KDM4EADRB2HPGD
SCHEMBL8408457 0.83 LTA4H (0.47) ALDH1A1KDM4ELTA4HNR5A1HPGD
SCHEMBL8656340 0.83 DRD4 (0.42) ALDH1A1KMT2AHPGDMAPTRAB9A

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