SCHEMBL8081876

SCHEMBL8081876

CC(O)COC(C)COC(C)COC(C)COc1ccc(CCCc2ccc(OCC(C)OCC(C)OCC(C)OCC(C)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ADRB2 P07550 8/20 0.42
ADRB1 P08588 6/20 0.42
ADRA1A P35348 2/20 0.42
NR3C1 P04150 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2J2 P51589 1/20 0.42
PDE4D Q08499 1/20 0.42
ADRB3 P13945 3/20 0.41
S1PR1 P21453 1/20 0.41
CALM1 P0DP23 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CNR1 P21554 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8083747 1.00 LMNA (0.46) LMNAADRB2ADRB1ADRA1ANR3C1
SCHEMBL8078933 0.98 LMNA (0.47) LMNAADRB2ADRB1ADRA1ANR3C1
SCHEMBL7787463 0.87 LMNA (0.60) LMNAADRB2ADRB1ADRA1ANR3C1
SCHEMBL2045144 0.82 LMNA (0.50) LMNAADRB2ADRB3TDP1KMT2A
SCHEMBL970564 0.80 LMNA (0.72) LMNAADRB2ADRB1ADRA1ACYP2D6
SCHEMBL1001111 0.80 LMNA (0.72) LMNAADRB2ADRB1ADRA1ACYP2D6
SCHEMBL2049440 0.80 LMNA (0.52) LMNAADRB3TDP1KMT2A
SCHEMBL872625 0.78 LMNA (0.75) LMNAADRB2ADRB1ADRA1ACYP2D6
SCHEMBL2046633 0.78 MAPT (0.47) LMNAKMT2A
SCHEMBL8081870 0.77 LMNA (0.49) LMNAADRB2ADRB1ADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6137008-A USEFUL AS STARTING MATERIAL FOR MAKING FLEXIBLE AROMATIC POLYAMIDES OR POLYIMIDES NATIONAL SCIENCE COUNCIL (TW) 2000-10-24 US disclosed
US-5817741-A HEAT RESISTANCE; MELT PROCESSABILITY NATIONAL SCIENCE COUNCIL (TW) 1998-10-06 US disclosed