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SCHEMBL5559333

SCHEMBL5559333

Cc1c(C(C)C(=O)OC2CCC2)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.43
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ PTGS1 P23219 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
SCHEMBL5798701 0.98 PTGS2 (0.45) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5800295 0.90 TSHR (0.36) PTGS2AKR1C3AKR1C2
SCHEMBL5558388 0.90 PTGS2 (0.35) PTGS2AKR1C3AKR1C2
SCHEMBL5822674 0.90 PTGS2 (0.36) PTGS2AKR1C3AKR1C2
SCHEMBL5819926 0.90 L3MBTL1 (0.37) PTGS2
SCHEMBL5800554 0.89 PTGS2 (0.38) PTGS2AKR1C3AKR1C2
SCHEMBL5559471 0.88 PTGS2 (0.42) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5560260 0.88 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL5819680 0.88 PTGS2 (0.37) PTGS2AKR1C3AKR1C2
SCHEMBL5800993 0.88 PTGS2 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 — — EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 — — WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 — — EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 — — WO disclosed