Sugi Predict

Sugi Predict / Compounds / SCHEMBL5797833

SCHEMBL5797833

SCHEMBL5797833

Cc1c([C@H](C)C(=O)OC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ PTPN11 Q06124 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30

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
SCHEMBL5797831 1.00 PTGS2 (0.34) PTGS2TSHRHPGDPTPN11HSD11B1
SCHEMBL5813350 0.94 PTGS2 (0.34) PTGS2PTPN11AKR1C3AKR1C2
SCHEMBL5813347 0.94 PTGS2 (0.34) PTGS2PTPN11AKR1C3AKR1C2
SCHEMBL5798904 0.91 TSHR (0.35) PTGS2TSHRHPGDLMNA
SCHEMBL5799881 0.90 TSHR (0.39) PTGS2TSHRHPGDLMNA
SCHEMBL5799882 0.90 TSHR (0.39) PTGS2TSHRHPGDLMNA
SCHEMBL5800820 0.90 PTGS2 (0.35) PTGS2PTPN11AKR1C3AKR1C2
SCHEMBL5800822 0.90 PTGS2 (0.35) PTGS2PTPN11AKR1C3AKR1C2
SCHEMBL5800478 0.90 APP (0.37) PTGS2TSHRHPGDHSD11B1LMNA
SCHEMBL5801225 0.89 PTGS2 (0.36) PTGS2TSHRHPGDHSD11B1AKR1C3

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