SCHEMBL15048701

SCHEMBL15048701

CCCCCC(CNOCc1ccccc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
CNR2 P34972 1/20 0.45
MBOAT4 Q96T53 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CTRC Q99895 1/20 0.44
CETP P11597 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 3/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL6450337 0.96 CA1 (0.49) BIRC2SIRT2SIRT1SIRT3CNR2
SCHEMBL4169167 0.96 CA1 (0.49) BIRC2SIRT2SIRT1SIRT3CNR2
SCHEMBL4169164 0.96 CA1 (0.49) BIRC2SIRT2SIRT1SIRT3CNR2
SCHEMBL15048672 0.91 LMNA (0.44) BIRC2SIRT2CNR2MBOAT4CTRC
SCHEMBL134382 0.90 CTRC (0.48) BIRC2CNR2CTRCCETPMMP2
SCHEMBL134381 0.90 CTRC (0.48) BIRC2CNR2CTRCCETPMMP2
SCHEMBL8054966 0.88 CTRC (0.50) CNR2CTRCCETPMMP2MMP1
SCHEMBL15048738 0.87 HSD17B10 (0.46) CNR2CETPALDH1A1CYP3A4TSHR
SCHEMBL3319286 0.85 PTGES (0.48) CNR2CA2CTRCALDH1A1TSHR
SCHEMBL4955699 0.85 PTGES (0.48) CNR2CA2CTRCALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177963-A1 ASYMMETRIC HYDROLASE AND GENE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
EP-2607480-A1 Asymmetric hydrolase and gene thereof Sumitomo Chemical Company, Limited (JP) 2013-06-26 EP disclosed