SCHEMBL8113995

SCHEMBL8113995

CCOC(=O)CCCCCCCn1cnc(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.53
▸ MAPK13 O15264 3/20 0.53
▸ MAPK12 P53778 3/20 0.53
▸ MAPK11 Q15759 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TNF P01375 5/20 0.46
▸ AMPD2 Q01433 2/20 0.45
▸ EP300 Q09472 2/20 0.43
▸ PTGS2 P35354 2/20 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
SCHEMBL8118770 0.90 FAAH (0.53) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL8104256 0.90 FAAH (0.63) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL8113496 0.89 PTGS2 (0.58) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL9192919 0.85 PTGS2 (0.59) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL8104084 0.83 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL9195170 0.81 PTGS2 (0.48) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL8113890 0.76 FAAH (0.51) FAAHMAPK13MAPK12MAPK11MAPK14
SCHEMBL8118282 0.75 FAAH (0.46) FAAHTDP1TNFAMPD2EP300
SCHEMBL8112876 0.74 PTGS2 (0.70) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8113629 0.72 MAPK14 (0.62) MAPK13MAPK12MAPK11MAPK14PTGS2

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 6 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 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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