SCHEMBL4957548

SCHEMBL4957548

[CH2]C(CCC(C)c1cc(C)ccc1C)c1cc(C)cc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
KCNE1 P15382 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGS1 P23219 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNQ1 P51787 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
SCHEMBL4952639 0.76 SRC (0.35) SRCLMNACHRM1ADRA1ACACNA1C
SCHEMBL8766798 0.72 SRC (0.45) SRCPOLBKMT2ALMNAESR1
SCHEMBL8985501 0.71 PDE5A (0.40) SRCPOLBKMT2ALMNACHRM1
SCHEMBL27391010 0.70 TSHR (0.42) SRCPOLBKMT2ALMNAESR1
SCHEMBL1004078 0.69 ALDH1A1 (0.41) POLBKMT2ALMNACHRM1ADRA1A
SCHEMBL8750430 0.69 SRC (0.36) SRCPOLBKMT2ALMNACHRM1
SCHEMBL14908003 0.69 CHRM1 (0.51) SRCPOLBKMT2ALMNAESR1
SCHEMBL22425523 0.69 SRC (0.33) SRCPOLBKMT2ALMNAESR1
SCHEMBL1005595 0.69 TDP1 (0.37) POLBKMT2ALMNACHRM1ADRA1A
SCHEMBL7813526 0.68 KMT2A (0.50) POLBKMT2ALMNA

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-7449539-B2 Silsesquioxane derivative and production process for the same CHISSO CORPORATION (JP) 2008-11-11 US disclosed