SCHEMBL8712042

SCHEMBL8712042

COc1ccc(N2C(=O)c3ccccc3C2C2CC2)cc1OC(C)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.42
NR1H2 P55055 1/20 0.42
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
KMT2A Q03164 1/20 0.38
QPCT Q16769 1/20 0.37
HSD11B1 P28845 1/20 0.36
STING1 Q86WV6 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7692903 0.87 NR1H3 (0.45) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL8708142 0.86 RAB9A (0.51) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL8708036 0.85 QPCT (0.48) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL8708895 0.83 QPCT (0.48) NR1H3NR1H2KMT2AQPCTHSD11B1
SCHEMBL7692652 0.79 NR1H3 (0.60) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL7698676 0.79 LMNA (0.41) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL8710488 0.78 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL7694958 0.77 NR1H3 (0.44) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL7701165 0.77 HTR2C (0.56) NR1H3NR1H2PDE4APDE4BPDE4C
SCHEMBL8713070 0.76 PDE4B (0.43) NR1H3NR1H2PDE4APDE4BPDE4C

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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed