SCHEMBL8104091

SCHEMBL8104091

CCOC(=O)CCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.62
▸ TNF P01375 8/20 0.59
▸ GAA P10253 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL11127287 0.89 FAAH (0.50) FAAHTNFGAAKDM4EALDH1A1
SCHEMBL11124380 0.88 FAAH (0.60) FAAHTNFKDM4EALDH1A1
SCHEMBL5720289 0.87 FAAH (0.59) FAAHTNFGAAPTGDR2
SCHEMBL5720489 0.86 FAAH (0.57) FAAHTNFGAA
SCHEMBL11123285 0.84 PTGIR (0.54) FAAH
SCHEMBL8114438 0.84 PTGIR (0.54) FAAH
SCHEMBL3169270 0.81 FAAH (0.56) FAAHTNFGAAPTGDR2
SCHEMBL8103963 0.80 FAAH (0.59) FAAHTNFGAAPTGDR2
SCHEMBL11128074 0.79 FAAH (0.61) FAAHTNFGAAKDM4EALDH1A1
SCHEMBL8104102 0.79 FAAH (0.80) FAAHGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP claimed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US claimed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 — — US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 — — EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 — — EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO disclosed
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