SCHEMBL7970656

SCHEMBL7970656

CC(C)COC(=O)CCCCCCCCCCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
CYP4Z1 Q86W10 1/20 0.42
MGLL Q99685 3/20 0.42
MAPT P10636 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL7968764 1.00 LPAR1 (0.47) LPAR1CYP4Z1MGLLMAPTADRB2
SCHEMBL7971409 1.00 LPAR1 (0.47) LPAR1CYP4Z1MGLLMAPTADRB2
SCHEMBL7955023 0.94 ADRB2 (0.46) LPAR1CYP4Z1MGLLADRB2ADRB1
SCHEMBL23545819 0.84 LPAR1 (0.60) LPAR1MAPTADRB2ADRB1ADRB3
SCHEMBL16264858 0.84 CYP4Z1 (0.58) CYP4Z1MGLLMAOB
SCHEMBL9744594 0.82 CYP4Z1 (0.59) CYP4Z1MAOB
Hydrochloric Acid SCHEMBL27344081 0.81 CYP4Z1 (0.58) CYP4Z1MAOB
SCHEMBL17262795 0.80 HPGD (0.49) CYP4Z1MAPTMAOB
SCHEMBL23200335 0.80 HPGD (0.49) CYP4Z1MAPTMAOB
SCHEMBL28226601 0.79 ADRB2 (0.61) LPAR1ADRB2ADRB1ADRB3

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