SCHEMBL9203592

SCHEMBL9203592

CC(C)(C)OC(=O)N1CCCCC1CC[C@](C)(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
PDE8B O95263 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CHEK2 O96017 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
PRMT5 O14744 1/20 0.36
OPRD1 P41143 1/20 0.36
PARP1 P09874 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL8633526 0.85 KDM1A (0.41) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL27411484 0.85 KDM1A (0.41) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL3146378 0.83 ATM (0.47) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL25220677 0.83 ATM (0.47) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL25218855 0.83 ATM (0.47) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL8636353 0.83 ATM (0.42) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL1551631 0.83 ATM (0.51) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL20828126 0.83 ATM (0.60) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL20828130 0.83 ATM (0.60) ATMPDE8BHSD17B10KDM1ASMN1; SMN2
SCHEMBL2687901 0.83 ATM (0.60) ATMPDE8BHSD17B10KDM1ASMN1; SMN2

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-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed