SCHEMBL9743443

SCHEMBL9743443

CCCCCOC(CC)CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
DNM1 Q05193 1/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGKA P23743 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TLR2 O60603 1/20 0.38
RAD52 P43351 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL9743675 0.98 NAAA (0.46) NAAADNM1LPAR1LPAR3NPSR1
SCHEMBL9745575 0.91 NAAA (0.53) NAAADNM1LPAR1LPAR3NPSR1
SCHEMBL9743211 0.90 NAAA (0.47) NAAADNM1LPAR1LPAR3NPSR1
SCHEMBL9744401 0.90 NAAA (0.52) NAAADNM1LPAR1LPAR3NPSR1
SCHEMBL6156348 0.87 CYP1A2 (0.43) NAAADNM1NPSR1MAPTMAPK1
SCHEMBL9620490 0.86 NAAA (0.46) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9744376 0.84 DNM1 (0.43) NAAADNM1LPAR1LPAR3ALDH1A1
SCHEMBL8911100 0.81 GAA (0.46) L3MBTL1ALDH1A1MGAMGAASI
SCHEMBL9856902 0.81 NAAA (0.44) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9743292 0.80 DNM1 (0.40) NAAADNM1LPAR1LPAR3ALDH1A1

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-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 EP disclosed