SCHEMBL7976243

SCHEMBL7976243

C#CCN(CC#C)C(=O)CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.31
HDAC1 Q13547 5/20 0.31
HDAC2 Q92769 5/20 0.31
HDAC8 Q9BY41 5/20 0.31
HDAC6 Q9UBN7 5/20 0.31
MAOA P21397 4/20 0.31
MAOB P27338 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
SCHEMBL7979406 0.85 NPC1 (0.46) PYGLNPC1HPGDTSHRRAB9A
SCHEMBL7982048 0.83 THRB (0.41) NPC1HPGDTSHRRAB9ASMN1; SMN2
SCHEMBL7979429 0.83 ALDH1A1 (0.41) PYGLNPC1HPGDTSHRRAB9A
SCHEMBL8895029 0.83 MAOB (0.41) RAB9AHTTTHRBMAOAMAOB
SCHEMBL7977902 0.83 ALDH1A1 (0.40) PYGLNPC1HPGDTSHRRAB9A
SCHEMBL7982102 0.83 THRB (0.42) PYGLNPC1HPGDTSHRRAB9A
SCHEMBL7965637 0.80 PYGL (0.43) PYGLHTTTHRB
SCHEMBL8408754 0.79 HTT (0.39) HPGDHTTTHRB
SCHEMBL6547821 0.77 BRD4 (0.39) TSHRHTTTHRBMAOAMAOB
SCHEMBL8494312 0.77 HTT (0.36) PYGLHTTTHRB

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 6 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
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 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