SCHEMBL7098290

SCHEMBL7098290

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3c(C)nc(C)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.48
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
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.84 TSPO (0.37) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL7016110 0.82
SCHEMBL27582837 0.81 NR1H2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6385097 0.81 POLB (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7096928 0.81 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7097040 0.80 ESR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6426629 0.79 PTGER4 (0.42) PTGER4PSEN1PSEN2APH1BNCSTN
SCHEMBL27600241 0.78 POLB (0.48) MAPK1TSHRMEN1RAB9AKMT2A
SCHEMBL7099008 0.78 SMN1; SMN2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28749912 0.77 SMN1; SMN2 (0.42) TSHRMEN1KMT2A

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-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