SCHEMBL5595056

SCHEMBL5595056

CC(C)(C)OC(=O)N1CCN(Cc2cnc3c(O)cccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.45
FAAH O00519 11/20 0.44
ACKR3 P25106 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL3588175 0.84 FAAH (0.62) FAAH
SCHEMBL29126340 0.81 CTSB (0.45) TBK1IDO1TDO2IDO2VEGFA
SCHEMBL617183 0.80 FAAH (0.47) TERTFAAHACKR3VEGFAEGLN1
SCHEMBL29126410 0.79 MCHR1 (0.44) FAAHTBK1
SCHEMBL17276352 0.78 FAAH (0.58) FAAH
SCHEMBL16855862 0.78 FAAH (0.58) FAAH
SCHEMBL2194827 0.76 KDM1A (0.57) IDO1TDO2IDO2VEGFAEGLN1
SCHEMBL30520640 0.75 MEN1 (0.50) TBK1IDO1TDO2IDO2VEGFA
SCHEMBL16892052 0.75 VEGFA (0.50) TBK1VEGFAEGLN1
SCHEMBL18191713 0.75 PIK3CA (0.46) TBK1VEGFAEGLN1

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-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP claimed