SCHEMBL9505686

SCHEMBL9505686

CCOC(=O)C1(CCC(=O)O)CCc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9344111 0.92 ALDH1A1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13998334 0.91 SMN1; SMN2 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8535967 0.87 BRD4 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL9344178 0.83 ALDH1A1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22692132 0.82 MAPT (0.38) GPR119SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL29423728 0.82 MAPT (0.38) GPR119SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL29423722 0.79 BRD4 (0.39) SMN1; SMN2KDM4EALDH1A1HPGDTDP1
SCHEMBL22692122 0.79 BRD4 (0.39) SMN1; SMN2KDM4EALDH1A1HPGDTDP1
SCHEMBL27188920 0.76 BRD4 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL11845491 0.76 DGAT1 (0.46) KDM4EALDH1A1TDP1L3MBTL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed