SCHEMBL8843586

SCHEMBL8843586

CCOC(=O)CCCCCC(Cc1ccccc1)Cc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.45
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ABL1 P00519 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RIN1 Q13671 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE5A O76074 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL9197623 0.87 KDM4E (0.44) MEN1KMT2AMAPT
SCHEMBL8119778 0.82 FAAH (0.52) FAAHALOX5MEN1KMT2AGAA
SCHEMBL11838994 0.75 LMNA (0.59) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL9651659 0.74
SCHEMBL9159182 0.74
SCHEMBL9192910 0.73 FAAH (0.43) FAAHALOX5GAAMAPTALDH1A1
SCHEMBL9375381 0.72 KDM4E (0.55)
SCHEMBL9194754 0.72 FAAH (0.43) FAAHALOX5MAPT
SCHEMBL9201163 0.72 NOX1 (0.44) FAAHMEN1KMT2AGAAMAPT
SCHEMBL9194933 0.70 FAAH (0.41) FAAHMEN1KMT2AGAAMAPT

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
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 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-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed