SCHEMBL8103726

SCHEMBL8103726

CCOC(=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.64
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.48
PTGIR P43119 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL8112625 1.00 FAAH (0.64) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL8103988 0.86 FAAH (0.61) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL8843453 0.84 FAAH (0.47) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL8844406 0.84 FAAH (0.47) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL9200439 0.82 PTGIR (0.72) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL9201368 0.82 PTGIR (0.72) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL8104410 0.81 PTGIR (0.67) FAAHMAPTPTGIRTSHR
SCHEMBL8104458 0.81 PTGIR (0.67) FAAHMAPTPTGIRTSHR
Water SCHEMBL9198128 0.81 PTGIR (0.71) FAAHMEN1KMT2AALDH1A1GAA
SCHEMBL8104102 0.80 FAAH (0.80) FAAHMEN1KMT2AGAA

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 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