SCHEMBL5718784

SCHEMBL5718784

CC(C)=CCCC(C)=CCCC(C)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
TRPV1 Q8NER1 1/20 0.48
KMT2A Q03164 2/20 0.47
PTPN1 P18031 2/20 0.46
BACE1 P56817 1/20 0.46
STAT3 P40763 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
UGT1A1 P22309 1/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL5718782 1.00 SRC (0.55) SRCTRPV1KMT2APTPN1BACE1
SCHEMBL17627685 0.91 SRC (0.59) SRCTRPV1PTPN1STAT3ALDH1A1
SCHEMBL309480 0.91 SRC (0.59) SRCTRPV1PTPN1STAT3ALDH1A1
SCHEMBL156333 0.91 SRC (0.59) SRCTRPV1PTPN1STAT3ALDH1A1
SCHEMBL29558348 0.83 SRC (0.48) SRCPTPN1STAT3
SCHEMBL17785040 0.83 SRC (0.48) SRCPTPN1STAT3
SCHEMBL17785039 0.83 SRC (0.48) SRCPTPN1STAT3
SCHEMBL30091075 0.83 SRC (0.48) SRCPTPN1STAT3
SCHEMBL12500490 0.83 SRC (0.48) SRCPTPN1STAT3
SCHEMBL1834290 0.83 SRC (0.48) SRCPTPN1STAT3

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
EP-1185178-B1 INSECTICIDAL COMPOSITIONS HERBAL SCIENCES INTERNAT LTD (GB) 2006-10-25 EP disclosed
EP-1185178-A2 INSECTICIDAL COMPOSITIONS Wilkinson, John Alfred (GB) 2002-03-13 EP disclosed
WO-2000064265-A2 INSECTICIDAL COMPOSITIONS WILKINSON JOHN ALFRED (GB) 2000-11-02 WO disclosed