SCHEMBL9745575

SCHEMBL9745575

CCCCCOC(=O)CC(CC)OCCCCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAD52 P43351 1/20 0.46
FAAH O00519 1/20 0.45
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
DNM1 Q05193 1/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 2/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR3 Q9UBY5 2/20 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
SCHEMBL9744401 0.98 NAAA (0.52) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9743211 0.95 NAAA (0.47) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9620490 0.95 NAAA (0.46) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9743443 0.91 NAAA (0.43) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9743675 0.90 NAAA (0.46) NAAANPSR1RAD52FAAHDGKA
SCHEMBL9856902 0.89 NAAA (0.44) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9744376 0.86 DNM1 (0.43) NAAAFAAHDNM1EPHX1LPAR1
SCHEMBL9854213 0.83 NAAA (0.35) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9743139 0.83 NAAA (0.59) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9745570 0.81 LMNA (0.53) NAAANPSR1MAPTMAPK1DGKA

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