SCHEMBL9874078

SCHEMBL9874078

O=C(O)C(O)C1CCCN1C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.57
SPHK1 Q9NYA1 1/20 0.56
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
NAAA Q02083 1/20 0.50
SLC6A7 Q99884 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
EGFR P00533 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL9874083 1.00 SPHK2 (0.57) SPHK2SPHK1CHRNB2CHRNA5CHRNA7
SCHEMBL9872319 0.83 SLC6A1 (0.54) ALDH1A1L3MBTL1
SCHEMBL9872312 0.83 SLC6A1 (0.54) ALDH1A1L3MBTL1
SCHEMBL9875180 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1
SCHEMBL9875176 0.81 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1
SCHEMBL15980971 0.81 SPHK2 (0.51) SPHK2SPHK1CHRNB2CHRNA5CHRNA7
SCHEMBL9873876 0.81 HSD11B1 (0.47) ALDH1A1NPSR1L3MBTL1
SCHEMBL9874972 0.81 HSD11B1 (0.47) ALDH1A1NPSR1L3MBTL1
SCHEMBL18542731 0.79
SCHEMBL7375418 0.79 PREP (0.60) NPC1RAB9ANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051444-A Pyrrolidine derivatives as anti-amnesia agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-09-24 US disclosed
US-4880827-A Pyrrolidine derivatives having inhibitory action for proline specific endopepidase SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1989-11-14 US disclosed
EP-0238319-A1 Pyrrolidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-09-23 EP disclosed