SCHEMBL8103988

SCHEMBL8103988

COC(=O)CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.61
LTB4R Q15722 1/20 0.49
PTGIR P43119 2/20 0.49
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KDM5B Q9UGL1 1/20 0.44
TBXAS1 P24557 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL8103726 0.86 FAAH (0.64) FAAHPTGIRKMT2AALDH1A1TSHR
SCHEMBL8112625 0.86 FAAH (0.64) FAAHPTGIRKMT2AALDH1A1TSHR
SCHEMBL9771000 0.83 KMT2A (0.57) FAAHLTB4RPTGIRKMT2ALMNA
SCHEMBL9770961 0.83 KMT2A (0.57) FAAHLTB4RPTGIRKMT2ALMNA
SCHEMBL8104410 0.83 PTGIR (0.67) FAAHPTGIRKDM4ETSHRHDAC3
SCHEMBL8104458 0.83 PTGIR (0.67) FAAHPTGIRKDM4ETSHRHDAC3
SCHEMBL9202422 0.83 PTGIR (0.74) FAAHLTB4RPTGIRKMT2ALMNA
SCHEMBL9205538 0.83 PTGIR (0.74) FAAHLTB4RPTGIRKMT2ALMNA
SCHEMBL9198234 0.81 PTGIR (0.76) FAAHLTB4RPTGIRKMT2ALMNA
SCHEMBL9208810 0.81 PTGIR (0.76) FAAHLTB4RPTGIRKMT2ALMNA

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 10 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
EP-0548227-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-30 EP disclosed
WO-1992004334-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed