SCHEMBL15061557

SCHEMBL15061557

CCCCCc1[c]cc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
HTR2C P28335 1/20 0.34
HSPE1 P61604 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4625366 0.94 HTT (0.33) HTTALDH1A1TP53
SCHEMBL1134431 0.85 ACHE (0.30) ACHETDP1
SCHEMBL4304642 0.80 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL828819 0.78 PTGS2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1778094 0.78 PTGS2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10512613 0.78 PTGS2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL829405 0.78 PTGS2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4762927 0.77 ESR1 (0.48) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL455980 0.76
SCHEMBL3277113 0.76 PTGS2 (0.40) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476309-B2 Benzofuran cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-07-02 US claimed