SCHEMBL7982102

SCHEMBL7982102

CCCN(CCC)C(=O)CCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.42
THRA P10827 5/20 0.38
AHR P35869 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PYGL P06737 1/20 0.33
GPR17 Q13304 1/20 0.33

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
SCHEMBL7982048 0.99 THRB (0.41) THRBTHRAAHRNPC1HPGD
SCHEMBL7979406 0.90 NPC1 (0.46) THRBTHRAAHRNPC1HPGD
SCHEMBL8601881 0.85 HTT (0.46) THRBTHRANPC1TSHRHTT
SCHEMBL7977902 0.85 ALDH1A1 (0.40) THRBNPC1HPGDTSHRRAB9A
SCHEMBL7979429 0.83 ALDH1A1 (0.41) THRBNPC1HPGDTSHRRAB9A
SCHEMBL8895659 0.83 THRB (0.40) THRBTHRATSHRHTT
SCHEMBL7976243 0.83 PYGL (0.33) THRBNPC1HPGDTSHRRAB9A
SCHEMBL8658600 0.82 THRB (0.43) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL13750530 0.82 THRB (0.43) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL8896090 0.82 HTT (0.40) THRBTHRAAHRNPC1SMN1; SMN2

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 3 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
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