SCHEMBL7979406

SCHEMBL7979406

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 5/20 0.33
THRA P10827 1/20 0.33
AHR P35869 1/20 0.33
SLC5A1 P13866 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PYGL P06737 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 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 0.91 THRB (0.41) NPC1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL7982102 0.90 THRB (0.42) NPC1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL7979429 0.86 ALDH1A1 (0.41) NPC1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL7977902 0.85 ALDH1A1 (0.40) NPC1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL7976243 0.85 PYGL (0.33) NPC1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL6547821 0.85 BRD4 (0.39) TSHRTHRBHSD17B10ALOX15HTT
SCHEMBL7965637 0.83 PYGL (0.43) THRBHTTTHRAPYGL
SCHEMBL8408754 0.82 HTT (0.39) HPGDTHRBMAPK1HTTKDM4E
SCHEMBL13750519 0.81 KDM4E (0.40) NPC1HPGDSMN1; SMN2RAB9ATHRB
SCHEMBL7975615 0.81 BRD4 (0.42) TSHRHPGDHSD17B10ALOX15HTT

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