SCHEMBL5801276

SCHEMBL5801276

CCCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
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
HPGD P15428 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
SCHEMBL5801273 1.00 PTGS2 (0.39) PTGS2CNR1CNR2ALDH1A1KMT2A
SCHEMBL5797617 0.95 CNR1 (0.38) PTGS2CNR1CNR2KMT2AELANE
SCHEMBL5797616 0.95 CNR1 (0.38) PTGS2CNR1CNR2KMT2AELANE
SCHEMBL5798158 0.92 ELANE (0.41) PTGS2CNR1CNR2KMT2AELANE
SCHEMBL5798594 0.91 LMNA (0.39) PTGS2ALDH1A1KMT2AELANEHPGD
SCHEMBL5801297 0.90 PTGS2 (0.38) PTGS2CNR1CNR2ALDH1A1KMT2A
SCHEMBL5801301 0.90 PTGS2 (0.38) PTGS2CNR1CNR2ALDH1A1KMT2A
SCHEMBL5797488 0.89 PTGS2 (0.47) PTGS2
SCHEMBL5797485 0.89 PTGS2 (0.47) PTGS2
SCHEMBL5798228 0.89 PTGS2 (0.40) PTGS2ALDH1A1KMT2A

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