SCHEMBL6426629

SCHEMBL6426629

CCCCc1nc2c(C)nc(C)cc2n1-c1ccc(C(CCC)C(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
APLNR P35414 3/20 0.31
CRHR1 P34998 2/20 0.31
MCHR1 Q99705 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL27582787 0.80 PSEN1 (0.40) ESR1ESR2LMNAMAPK1MEN1
SCHEMBL27582814 0.80 AGTR1 (0.46) ESR1ESR2LMNAMAPK1MEN1
SCHEMBL7012817 0.79 MEN1 (0.34) ESR1ESR2LMNAMAPK1MEN1
SCHEMBL7098290 0.79 PTGER4 (0.48) PTGER4MAPK1MEN1KMT2APSEN1
SCHEMBL1626336 0.77 PTGER4 (0.49) PTGER4ESR1ESR2LMNAMAPK1
SCHEMBL1624348 0.76 PTGER4 (0.49) PTGER4ESR1ESR2LMNAMAPK1
SCHEMBL3955596 0.75 PTGER4 (0.46) PTGER4ESR1ESR2LMNAMAPK1
SCHEMBL1625727 0.74 PTGER4 (0.47) PTGER4ESR1ESR2LMNAMAPK1
SCHEMBL1626626 0.74 PTGER4 (0.47) PTGER4ESR1ESR2LMNAMAPK1
SCHEMBL7019822 0.71 EDNRB (0.40)

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
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed