SCHEMBL8675328

SCHEMBL8675328

CCCCc1cn(-c2ccc(-c3ccccc3C(=O)OC)c(C)c2)c2c(c1=O)CC(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
ACHE P22303 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AHR P35869 1/20 0.33
MAPT P10636 5/20 0.33
TP53 P04637 4/20 0.33
THRB P10828 1/20 0.33
MAOA P21397 1/20 0.32
MEN1 O00255 1/20 0.31
ALOX15 P16050 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
SCHEMBL8413083 0.78 ACHE (0.47) ACHEAGTR1AGTR2
SCHEMBL8413669 0.70 ACHE (0.47) ACHEAGTR1AGTR2
SCHEMBL8525724 0.69 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8678184 0.68 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8502142 0.68 ACHE (0.54) ACHEAGTR1AGTR2
SCHEMBL8323609 0.66 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7134084 0.62 PTPN11 (0.44) TSHRLMNAALDH1A1ACHEAGTR1
SCHEMBL8674166 0.62 PLA2G2A (0.44) ALDH1A1ACHEAGTR1AGTR2MAPT
SCHEMBL9531774 0.61 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL1789262 0.61 ALDH1A1 (0.66) TSHRLMNAALDH1A1KDM4EGAA

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-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed