SCHEMBL7982131

SCHEMBL7982131

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCCCN

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PLAU P00749 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
F2 P00734 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KLK1 P06870 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7977636 0.99 HTT (0.37) HTTTP53MAPK1THRATHRB
SCHEMBL7975798 0.94 HTT (0.38) HTTTP53MAPK1PLAUMEN1
SCHEMBL7982136 0.92 KDM4E (0.38) HTTTP53MAPK1PLAUMEN1
SCHEMBL7978953 0.91 KDM4E (0.38) HTTTP53MAPK1PLAUMEN1
SCHEMBL7978996 0.90 HTT (0.34) HTTTP53MAPK1THRATHRB
SCHEMBL7978918 0.90 PLAU (0.40) HTTPLAUCYP1A2CYP2D6
SCHEMBL7977565 0.89 HTT (0.35) HTTTHRATHRBPLAUF2
SCHEMBL8405628 0.87 HTT (0.38) HTTTP53MAPK1THRATHRB
SCHEMBL7977888 0.86 KDM4E (0.36) HTTTP53MAPK1PLAUMEN1
SCHEMBL7982158 0.86 KDM4E (0.37) TP53MAPK1THRATHRBPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed