SCHEMBL7965135

SCHEMBL7965135

CC(C)(C)OC(=O)CCCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
ESRRG P62508 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALOX5 P09917 1/20 0.39
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPID Q08752 1/20 0.38
PPIG Q13427 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
SCHEMBL7971302 0.94 HDAC8 (0.44) MAOBESRRGHDAC8GFER
SCHEMBL7970617 0.94 HDAC8 (0.44) MAOBESRRGHDAC8GFER
SCHEMBL7968451 0.94 HDAC8 (0.44) MAOBESRRGHDAC8GFER
SCHEMBL7955579 0.94 HDAC8 (0.44) MAOBESRRGHDAC8GFER
SCHEMBL7322522 0.90 CYP4F2 (0.44) MAOBESRRGGFERTDP1CA1
SCHEMBL23728623 0.86 ESRRG (0.36) MAOBESRRGHDAC8GFERCA1
SCHEMBL7856922 0.86 ESRRG (0.45) ESRRGHDAC8ADRB2ADRB1ADRB3
SCHEMBL22167270 0.85 PPARA (0.42) HDAC8TDP1MAPK1GAANPSR1
SCHEMBL7414163 0.85 FAAH (0.43) TDP1MAPK1GAANPSR1ADRB2
SCHEMBL2146699 0.84 TDP1 (0.47) HDAC8TDP1ADRB2ADRB1ADRB3

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-6264916-B1 COMPUTER TOMOGRAPHY BRACCO RESEARCH, USA 2001-07-24 US claimed