SCHEMBL14747862

SCHEMBL14747862

CCCC(CCCc1ccc(C)c(OC)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
STAT3 P40763 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
FOS P01100 1/20 0.37
TTR P02766 1/20 0.37
JUN P05412 1/20 0.37
NR3C1 P04150 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL14747869 0.82 HTR1A (0.41) HTR1APPARGPPARASTAT3SIGMAR1
SCHEMBL14747877 0.82 HTR1A (0.56) HTR1APPARGPPARASTAT3TUBB4A
SCHEMBL12020315 0.80 SKP2 (0.53) HTR1APPARGPPARATUBB4ATUBB
SCHEMBL15760679 0.78 TUBB4A (0.53) PPARGPPARATUBB4ATUBBTUBA3C
SCHEMBL21755693 0.78 HTR1A (0.59) HTR1APPARGPPARASTAT3TUBB4A
Benzene SCHEMBL2920819 0.77 PPARG (0.54) PPARGPPARA
SCHEMBL23428645 0.77 HTR1A (0.61) HTR1APPARGPPARASTAT3TUBB4A
SCHEMBL17637575 0.77 TUBB4A (0.51) PPARGPPARATUBB4ATUBBTUBA3C
SCHEMBL2559405 0.77 ATM (0.48) PPARGPPARAKDM4EATMALDH1A1
SCHEMBL103861 0.76 STAT3 (0.50) HTR1ASTAT3SIGMAR1KDM4EATM

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
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed