SCHEMBL9726314

SCHEMBL9726314

CCCC(N)C(CC(=O)O)c1cc2cc(C(C)C)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
ALOX5 P09917 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ABCC4 O15439 1/20 0.34
TTR P02766 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.34
IKBKE Q14164 1/20 0.34
PDE3A Q14432 1/20 0.34
GPR35 Q9HC97 1/20 0.34
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL9726310 0.77 MEN1 (0.32) KDM4EGAAIKBKETBK1
SCHEMBL9198993 0.77 GABBR2 (0.44) ALOX5FFAR4KDM4ENPC1ABCC4
SCHEMBL12869441 0.70 PIM1 (0.58) KDM4ENPC1ABCC4TTRGAA
SCHEMBL9195312 0.69 GAA (0.43) ALOX5FFAR4GAA
SCHEMBL28048537 0.69 L3MBTL1 (0.45) FFAR4GAA
SCHEMBL12269180 0.69 NPC1 (0.49) ALOX5KDM4ENPC1GAAPKM
SCHEMBL11685307 0.67 ALDH1A1 (0.63) TAS1R3TAS1R1KDM4ENPC1ABCC4
SCHEMBL9696447 0.67 MAPT (0.40) TAS1R3TAS1R1ALOX5GAARAB9A
SCHEMBL12709534 0.66 MAOB (0.52) KDM4ENPC1RAB9A
SCHEMBL9696413 0.66 RAB9A (0.39) NPC1RAB9A

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
JP-4243853-A None JP disclosed
JP-H04243853-A NEW 4-AMINOBUTYRIC ACID COMPOUND ADIR 1992-08-31 JP disclosed