SCHEMBL5554643

SCHEMBL5554643

Cc1c(C(CCC(C(=O)O)c2c(C)n(C(=O)c3cccc(Cl)c3)c3ccc(O)cc23)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
PTGS1 P23219 4/20 0.50
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.38
ABCB1 P08183 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL5559002 0.96 PTGS2 (0.48) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6423909 0.95 PTGS2 (0.48) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6423438 0.95 PTGS2 (0.48) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6424820 0.93 PTGS2 (0.46) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6423955 0.93 PTGS2 (0.46) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6425957 0.93 PTGS2 (0.49) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6425866 0.93 PTGS2 (0.49) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6426363 0.92 PTGS2 (0.46) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6424180 0.91 PTGS2 (0.48) PTGS2PTGS1CNR1CNR2MEN1
SCHEMBL6425425 0.90 PTGS2 (0.47) PTGS2PTGS1CNR1CNR2MEN1

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 3 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
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