SCHEMBL8104133

SCHEMBL8104133

O=C(O)CCCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 4/20 0.49
▸ FABP4 P15090 2/20 0.48
▸ FABP5 Q01469 2/20 0.48
▸ TBXAS1 P24557 2/20 0.43
▸ FAAH O00519 4/20 0.41
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL8103785 1.00 PTGIR (0.49) PTGIRFABP4FABP5TBXAS1FAAH
SCHEMBL11124513 1.00 PTGIR (0.49) PTGIRFABP4FABP5TBXAS1FAAH
SCHEMBL8111700 1.00 PTGIR (0.49) PTGIRFABP4FABP5TBXAS1FAAH
SCHEMBL5720217 0.99 FABP4 (0.49) PTGIRFABP4FABP5TBXAS1FAAH
SCHEMBL8114006 0.89 MAPT (0.47) FABP4FABP5MAPT
SCHEMBL11127880 0.86 FAAH (0.56) PTGIRFAAHMAPT
SCHEMBL5720397 0.85 GSK3A (0.39) FAAH
SCHEMBL5720289 0.84 FAAH (0.59) FAAH
SCHEMBL8114438 0.83 PTGIR (0.54) PTGIRFABP4FABP5TBXAS1FAAH
SCHEMBL11123285 0.83 PTGIR (0.54) PTGIRFABP4FABP5TBXAS1FAAH

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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