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SCHEMBL5813595

SCHEMBL5813595

CC(=O)Oc1c(C)n(C(=S)c2ccc(C)cc2)c2cc(Cl)c(O)c(C)c12.COc1cc2c(CC(=O)NCCO)c(C)n(C(=S)c3ccc(C)cc3)c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.46
▸ PTGS1 P23219 6/20 0.46
▸ HRH4 Q9H3N8 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ HDAC2 Q92769 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
SCHEMBL5560002 0.87 PTGS2 (0.56) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL6424518 0.81 PTGS2 (0.56) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL5554278 0.80 PTGS2 (0.56) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL5553841 0.80 PTGS2 (0.59) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL5559871 0.79 PTGS2 (0.67) PTGS2PTGS1HRH4MAPT
SCHEMBL5554552 0.79 PTGS2 (0.55) PTGS2PTGS1HRH4MAPT
SCHEMBL5560561 0.78 PTGS2 (0.51) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL5558662 0.78 PTGS2 (0.51) PTGS2PTGS1HRH4MAPTHDAC3
SCHEMBL5559400 0.78 PTGS2 (0.58) PTGS2PTGS1HRH4MAPT
SCHEMBL5559028 0.78 PTGS2 (0.56) PTGS2PTGS1MAPT

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