SCHEMBL7955023

SCHEMBL7955023

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CYP4Z1 Q86W10 1/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LPAR1 Q92633 5/20 0.40
ALOX5 P09917 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAOB P27338 1/20 0.40
MGLL Q99685 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7970656 0.94 LPAR1 (0.47) ADRB2ADRB1ADRB3CYP4Z1LPAR1
SCHEMBL7968764 0.94 LPAR1 (0.47) ADRB2ADRB1ADRB3CYP4Z1LPAR1
SCHEMBL7971409 0.94 LPAR1 (0.47) ADRB2ADRB1ADRB3CYP4Z1LPAR1
SCHEMBL28226601 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3MAPK1TDP1
SCHEMBL1467579 0.83 CYP4F2 (0.58) CYP4Z1CYP4F11CYP4F12MAPK1GAA
Hydrochloric Acid SCHEMBL27741536 0.81 CYP4Z1 (0.57) CYP4Z1CYP4F11CYP4F12MAPK1GAA
SCHEMBL11147997 0.81 CYP19A1 (0.46) ADRB2ADRB1ADRB3MAPK1HPGD
SCHEMBL23545819 0.80 LPAR1 (0.60) ADRB2ADRB1ADRB3TDP1LPAR1
SCHEMBL5024619 0.80 MAOB (0.43) CYP4Z1CYP4F11CYP4F12MAPK1GAA
SCHEMBL1351101 0.79 TSHR (0.48) CYP4Z1CYP4F11CYP4F12ALOX5CYP4F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6264916-B1 COMPUTER TOMOGRAPHY BRACCO RESEARCH, USA 2001-07-24 US disclosed
US-6051210-A BIOLOGICALLY INJECTING BRACCO RESEARCH USA (US) 2000-04-18 US disclosed