Sugi Predict

Sugi Predict / Compounds / SCHEMBL5811236

SCHEMBL5811236

SCHEMBL5811236

CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(Cl)c(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(F)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.62
▸ PTGS1 P23219 4/20 0.62
▸ HRH4 Q9H3N8 1/20 0.51
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ HDAC3 O15379 3/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC2 Q92769 1/20 0.48

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
SCHEMBL5553327 0.97 PTGS2 (0.65) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5560357 0.96 PTGS2 (0.65) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5807578 0.93 PTGS2 (0.71) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5560448 0.92 PTGS2 (0.68) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5554703 0.90 PTGS2 (0.65) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5560630 0.90 PTGS2 (0.67) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5560466 0.90 PTGS2 (0.74) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5562194 0.90 PTGS2 (0.59) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL6427013 0.89 PTGS2 (0.66) PTGS2PTGS1HRH4AKR1C3AKR1C2
SCHEMBL5559201 0.89 PTGS2 (0.65) PTGS2PTGS1HRH4HDAC3HDAC1

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