SCHEMBL14019698

SCHEMBL14019698

C=C(C(=O)OC)C12CC1CC(C(=O)OCC)(C(=O)Oc1ccccc1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.39
MAPT P10636 2/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL1394904 0.87 LMNA (0.35) MAPK1
SCHEMBL14019700 0.84 LMNA (0.33)
SCHEMBL3390107 0.81 LMNA (0.30)
SCHEMBL13108990 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14019708 0.78 KDM4E (0.33) ADAM17MAPTGAA
SCHEMBL4609091 0.77 POLB (0.32)
SCHEMBL13108977 0.75 TUBB4A (0.31)
SCHEMBL13001800 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13108974 0.75 POLB (0.32)
SCHEMBL13108991 0.75 SMN1; SMN2 (0.40) ADAM17MAPTCNR2ALDH1A1OPRM1

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
US-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed