SCHEMBL8843822

SCHEMBL8843822

COC(=O)c1ccc(OCCCCn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
PIN1 Q13526 2/20 0.48
FAAH O00519 6/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BCHE P06276 3/20 0.45

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
SCHEMBL8113642 0.89 PIN1 (0.60) PIN1FAAHRXFP1
SCHEMBL8104033 0.81 FAAH (0.52) PIN1FAAHRXFP1
SCHEMBL5371564 0.79 FAAH (0.56) MAPTRAB9APIN1FAAHTDP1
SCHEMBL8104083 0.79 FAAH (0.65) GAAFAAHL3MBTL1MEN1KMT2A
SCHEMBL5371904 0.78 FAAH (0.57) PIN1FAAHHTT
SCHEMBL8113970 0.78 FAAH (0.76) FAAHMEN1KMT2ABCHE
SCHEMBL8112175 0.77 FAAH (0.55) FAAHBCHE
SCHEMBL8112509 0.77 FAAH (0.55) FAAHBCHE
SCHEMBL5370643 0.76 FAAH (0.52) MAPTRAB9AFAAHTDP1L3MBTL1
SCHEMBL8798196 0.76 SIRT2 (0.57) MGAMGAASIMGAM2MAPT

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 7 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
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-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