SCHEMBL5800743

SCHEMBL5800743

CCCCOC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ELANE P08246 1/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5800746 1.00 PTGS2 (0.40) PTGS2CNR1CNR2ELANEPSEN1
SCHEMBL5797723 0.95 ELANE (0.40) PTGS2CNR1CNR2ELANEKMT2A
SCHEMBL5797729 0.95 ELANE (0.40) PTGS2CNR1CNR2ELANEKMT2A
SCHEMBL5558888 0.92 ELANE (0.44) CNR1CNR2ELANEPSEN1PSEN2
SCHEMBL5558886 0.92 ELANE (0.44) CNR1CNR2ELANEPSEN1PSEN2
SCHEMBL5798223 0.90 PTGS2 (0.49) PTGS2
SCHEMBL5798225 0.90 PTGS2 (0.49) PTGS2
SCHEMBL5813475 0.89 PTGS2 (0.40) PTGS2
SCHEMBL6425681 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5813479 0.89 PTGS2 (0.40) PTGS2

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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed