SCHEMBL7274841

SCHEMBL7274841

CC(=O)OC1CCCC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 6/20 0.57
FABP7 O15540 4/20 0.57
FABP3 P05413 3/20 0.57
SLC18A3 Q16572 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
GRIA4 P48058 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL19355194 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL15570630 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL4193263 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL19355090 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL19355089 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL4193266 0.97 FABP5 (0.61) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL8847691 0.84 FABP5 (0.62) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL4607042 0.84 GRIA4 (0.43) FABP5FABP7FABP3SLC18A3SLC6A2
SCHEMBL25369789 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3SMN1; SMN2
SCHEMBL21825849 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3SLC6A2

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
EP-0386675-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-06-05 EP disclosed
US-5068236-A Diuretics, renal protective agents and hypotensives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-11-26 US disclosed
EP-0386675-A2 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-09-12 EP disclosed