SCHEMBL15048738

SCHEMBL15048738

CCCCC(CNOCc1ccccc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 2/20 0.41
CTSK P43235 2/20 0.41
EPHX2 P34913 1/20 0.41
PTGES O14684 1/20 0.40

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
SCHEMBL15048672 0.96 LMNA (0.44) HSD17B10TSHRKDM4EL3MBTL1LMNA
SCHEMBL6450337 0.91 CA1 (0.49) HSD17B10TSHRKDM4EL3MBTL1CTSL
SCHEMBL4169164 0.91 CA1 (0.49) HSD17B10TSHRKDM4EL3MBTL1CTSL
SCHEMBL4169167 0.91 CA1 (0.49) HSD17B10TSHRKDM4EL3MBTL1CTSL
SCHEMBL4955699 0.88 PTGES (0.48) HSD17B10TSHRKDM4ECTSLCTSS
SCHEMBL3319286 0.88 PTGES (0.48) HSD17B10TSHRKDM4ECTSLCTSS
SCHEMBL15048701 0.87 BIRC2 (0.49) TSHRL3MBTL1CNR2TDP1ALDH1A1
SCHEMBL134381 0.84 CTRC (0.48) CNR2PPARGPTGESALOX5CETP
SCHEMBL134382 0.84 CTRC (0.48) CNR2PPARGPTGESALOX5CETP
SCHEMBL8054966 0.83 CTRC (0.50) CNR2CETP

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