SCHEMBL7968451

SCHEMBL7968451

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
FAAH O00519 5/20 0.43
MAOB P27338 2/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ESRRG P62508 1/20 0.40
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CES1 P23141 3/20 0.39
CYP4Z1 Q86W10 1/20 0.39
GFER P55789 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
SCHEMBL7955579 1.00 HDAC8 (0.44) HDAC8FAAHMAOBMGLLMAPT
SCHEMBL7971302 1.00 HDAC8 (0.44) HDAC8FAAHMAOBMGLLMAPT
SCHEMBL7970617 1.00 HDAC8 (0.44) HDAC8FAAHMAOBMGLLMAPT
SCHEMBL7965135 0.94 MAOB (0.42) HDAC8MAOBESRRGGFER
SCHEMBL7322522 0.87 CYP4F2 (0.44) MAOBESRRGNR1H2NR1H3GFER
SCHEMBL27586622 0.84 MAPT (0.59) HDAC8FAAHMGLLMAPTRXFP1
SCHEMBL22105995 0.84 FAAH (0.40) HDAC8FAAHMGLLMAPTRXFP1
SCHEMBL15909248 0.84 HPGD (0.45) HDAC8FAAH
SCHEMBL31502505 0.84 ALDH1A1 (0.55) HDAC8FAAHMGLLMAPTRXFP1
SCHEMBL23728623 0.83 ESRRG (0.36) HDAC8FAAHMAOBESRRGGFER

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