SCHEMBL8635944

SCHEMBL8635944

CCCCc1cc(Sc2ccc(OCC)cc2)ccc1OCC=C(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PTGIR P43119 1/20 0.31
NPC1 O15118 1/20 0.31
NQO1 P15559 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 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
SCHEMBL8638417 0.93 HTT (0.36) MTNR1AMTNR1BRXFP1HTTMAPT
SCHEMBL8633489 0.82 GABRA1 (0.34) MTNR1AMTNR1BRXFP1MAPTRAB9A
SCHEMBL8636014 0.81 POLB (0.43) RXFP1HTTMAPTRAB9AL3MBTL1
SCHEMBL8907787 0.81 PPARA (0.34) HTTLMNASMN1; SMN2PTGIRTHRB
SCHEMBL8632261 0.78 PPARG (0.43) HTTMAPT
SCHEMBL8638883 0.76 HTT (0.36) HTTKMT2ALMNASMN1; SMN2PTGIR
SCHEMBL8632449 0.73 HTT (0.41) HTTMAPTRAB9AALDH1A1LMNA
SCHEMBL8634705 0.72 LTA4H (0.43) MTNR1AMTNR1BHTTMAPTRAB9A
SCHEMBL8631583 0.71 NPC1 (0.41) RXFP1MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL8635717 0.70 NR1H2 (0.35) LMNASMN1; SMN2PTGIRTHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed