SCHEMBL7096928

SCHEMBL7096928

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3c(C)c(C)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL27582780 0.83 TSPO (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27582837 0.82 NR1H2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7098290 0.81 PTGER4 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7097040 0.81 ESR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7104173 0.80 MAPT (0.37) ALOX15TSHRMAPK1HPGDHTT
SCHEMBL27600241 0.79 POLB (0.48) TSHRMAPK1SMN1; SMN2HPGDFAAH
SCHEMBL7016110 0.79
SCHEMBL28749912 0.78 SMN1; SMN2 (0.42) TSHRSMN1; SMN2HPGDPOLBKMT2A
SCHEMBL7105813 0.78 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7104337 0.78 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed