Sugi Predict

Sugi Predict / Compounds / SCHEMBL5796532

SCHEMBL5796532

SCHEMBL5796532

CCC(C)OC(=O)C(C)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.42
▸ PTGS1 P23219 3/20 0.42
▸ AKR1C3 P42330 3/20 0.36
▸ AKR1C2 P52895 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ELANE P08246 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
SCHEMBL5822684 0.92 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL5813335 0.90 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5799060 0.90 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL5813339 0.90 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5799056 0.90 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL5814808 0.89 MGLL (0.34) PTGS2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5797391 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6426910 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6424278 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6423962 0.88 PTGS2 (0.56) PTGS2PTGS1

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