SCHEMBL5813339

SCHEMBL5813339

Cc1c([C@H](C)C(=O)OC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 3/20 0.43
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL5813335 1.00 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5814404 0.91 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5814403 0.91 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5796532 0.90 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5799056 0.90 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5799060 0.90 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5800207 0.89 PTGS2 (0.42) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5807298 0.88 PTGS2 (0.41) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5800627 0.88 PTGS2 (0.36) PTGS2ESR1NR3C1PGRNR3C2
SCHEMBL5800622 0.88 PTGS2 (0.36) PTGS2ESR1NR3C1PGRNR3C2

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