SCHEMBL8701623

SCHEMBL8701623

COc1ccc(C(C)C(=O)NC2(C(=O)O)CCCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.47
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 2/20 0.42
GAA P10253 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 3/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8703561 1.00 GPR88 (0.47) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL8697428 1.00 GPR88 (0.47) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL8698327 0.99 GPR88 (0.48) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL7964442 0.90 GPR88 (0.44) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL7964655 0.90 GPR88 (0.44) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL7949726 0.90 GPR88 (0.44) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL7960740 0.88 GPR88 (0.45) GPR88FAAHTRPV1MEN1KMT2A
SCHEMBL7961955 0.86 GPR88 (0.44) GPR88MEN1KMT2AGAA
SCHEMBL7960746 0.86 GPR88 (0.44) GPR88MEN1KMT2AGAA
SCHEMBL6475256 0.86 FAAH (0.45) FAAHTRPV1MEN1KMT2ACTSK

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-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed