SCHEMBL5796753

SCHEMBL5796753

Cc1c(C(C)C(=O)NCCO)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.37
PTGS1 P23219 3/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CXCL8 P10145 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ESRRG P62508 1/20 0.32

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
SCHEMBL5812734 0.94 HPGD (0.41) PTGS2PTGS1POLBHPGDHTT
SCHEMBL5562449 0.93 PTGS2 (0.33) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5562450 0.93 PTGS2 (0.33) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5800851 0.92 PTGS2 (0.37) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5555232 0.91 AKR1C3 (0.38) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5555246 0.91 AKR1C3 (0.38) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5808507 0.91 PTGS2 (0.46) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5560275 0.89 HIF1A (0.37) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5801605 0.89 PTGS2 (0.47) PTGS2PTGS1CXCL8HRH4AKR1C3
SCHEMBL5813354 0.89 PTGS2 (0.37) PTGS2PTGS1HRH4AKR1C3AKR1C2

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