SCHEMBL8086818

SCHEMBL8086818

CCCCCCCc1cccc(Cc2cccc(CCCCCCC)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.61
LIPG Q9Y5X9 3/20 0.61
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL8102161 1.00 LPL (0.61) LPLLIPGPPARGPPARAKCNH2
SCHEMBL8099381 1.00 LPL (0.61) LPLLIPGPPARGPPARAKCNH2
SCHEMBL8098362 0.98 LPL (0.59) LPLLIPGPPARGPPARAKCNH2
SCHEMBL8095321 0.96 LPL (0.57) LPLLIPGPPARGPPARAESR1
SCHEMBL8085699 0.96 LPL (0.57) LPLLIPGPPARGPPARAESR1
SCHEMBL8094550 0.96 LPL (0.57) LPLLIPGPPARGPPARAESR1
SCHEMBL4077078 0.94 LPL (0.56) LPLLIPGPPARGPPARAKCNH2
SCHEMBL8095304 0.94 LPL (0.56) LPLLIPGPPARGPPARATDP1
SCHEMBL6932623 0.94 LPL (0.67) LPLLIPGPPARGPPARAKCNH2
SCHEMBL5249436 0.94 LPL (0.67) LPLLIPGPPARGPPARAKCNH2

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed