SCHEMBL8798167

SCHEMBL8798167

CCCCOC(=O)C[C@H](O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAD52 P43351 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FAAH O00519 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6155660 1.00 NAAA (0.42) NAAAALDH1A1ATMNPSR1MAPT
SCHEMBL4286159 0.92 NAAA (0.39) NAAAALDH1A1ATMNPSR1MAPT
SCHEMBL6155363 0.90 ALDH1A1 (0.34) NAAAALDH1A1NPSR1MAPTMAPK1
SCHEMBL4264982 0.88 FAAH (0.45) NAAAALDH1A1ATMNPSR1MAPT
SCHEMBL15483303 0.88 FAAH (0.45) NAAAALDH1A1ATMNPSR1MAPT
SCHEMBL6153346 0.84 ALDH1A1 (0.52) NAAAALDH1A1ATMNPSR1MAPT
SCHEMBL198108 0.82 MGAM (0.41) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL391523 0.82 MGAM (0.41) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL395418 0.82 MGAM (0.41) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL6400340 0.82 ALDH1A1 (0.35) NAAAALDH1A1L3MBTL1DGKAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687263-B1 PROCESS FOR PREPARING (TRANS)-6- [2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER LAMBERT CO (US) 1997-07-30 EP claimed
EP-0687263-A1 NOVEL PROCESS FOR -i(TRANS)-6- 2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER LAMBERT CO (US) 1995-12-20 EP claimed
WO-2010061787-A1 BEAUVERIOLIDE HAVING ACAT-2 INHIBITORY ACTIVITY 学校法人北里研究所 (JP) 2010-06-03 WO disclosed
EP-0687263-B1 PROCESS FOR PREPARING (TRANS)-6- [2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER LAMBERT CO (US) 1997-07-30 EP disclosed