SCHEMBL5197233

SCHEMBL5197233

O=CC=CC1(c2ccccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.40
HDAC4 P56524 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1299548 0.80 AKR1C1 (0.45) AKR1C1HDAC4GRIN2DGRIN3BCYP2B6
Hydrochloric Acid SCHEMBL28583230 0.79 OPRM1 (0.44) AKR1C1HDAC4GRIN2DGRIN3BCYP2B6
SCHEMBL1152247 0.78 AKR1C1 (0.47) AKR1C1HDAC4GRIN2DGRIN3BCYP2B6
Hydrochloric Acid SCHEMBL28579273 0.76 AKR1C1 (0.45) AKR1C1HDAC4GRIN2DGRIN3BCYP2B6
SCHEMBL881544 0.75 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL1553 0.74 AKR1C1 (0.42) AKR1C1HDAC4OPRM1MEN1KMT2A
SCHEMBL11501619 0.72 SLC6A2 (0.44) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
SCHEMBL22361961 0.72 OPRM1 (0.45) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL2383765 0.72 GRIN2D (0.42) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28589025 0.72 AKR1C1 (0.41) AKR1C1HDAC4OPRM1OPRD1MEN1

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-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed