Benorilate

Benorilate

SCHEMBL28008209

CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1.CCCCCO

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.59
HSD17B10 Q99714 4/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.47
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.45
FAAH O00519 6/20 0.44
TSHR P16473 1/20 0.44

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
Benorilate SCHEMBL27446831 0.88 HSD17B10 (0.70) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL15526470 0.88 HSD17B10 (0.70) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL25167 0.88 HSD17B10 (0.70) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL15969775 0.87 HSD17B10 (0.68) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL1162333 0.83 HSD17B10 (0.68) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL28324024 0.81 HSD17B10 (0.60) PTGS2HSD17B10HPGDKDM4EALDH1A1
Benorilate SCHEMBL28086366 0.79 MAPK1 (0.61) PTGS2HSD17B10HPGDKDM4EALDH1A1
SCHEMBL13243355 0.78 HPGD (0.70) HSD17B10HPGDKDM4EALDH1A1GLA
SCHEMBL10941973 0.76 ALDH1A1 (0.57) PTGS2HSD17B10HPGDKDM4EALDH1A1
Etersalate SCHEMBL24764 0.76 ALDH1A1 (0.51) PTGS2HSD17B10HPGDKDM4EALDH1A1

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
CN-104876800-A Process for preparing benorilate amyl alcohol JIANGSU LVYUAN FINE CHEMICAL CO LTD 2015-09-02 CN disclosed
CN-104876800-A Process for preparing benorilate amyl alcohol JIANGSU LVYUAN FINE CHEMICAL CO LTD 2015-09-02 CN disclosed