SCHEMBL7219207

SCHEMBL7219207

CCOC(=O)CCc1cc(C)[c]c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
CYP4Z1 Q86W10 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
CYP1A2 P05177 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
APP P05067 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALOX5 P09917 2/20 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
SCHEMBL7678316 0.88 TDP1 (0.46) CYP4F2CYP4A11CYP4Z1TDP1PDE3B
SCHEMBL7680938 0.85 DGKA (0.46) CYP4F2CYP4A11TDP1APPGAA
SCHEMBL7219961 0.84 TSHR (0.43) CYP4F2CYP4A11PDE3BPDE3AMAPT
SCHEMBL29024345 0.81 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1TDP1PDE3B
SCHEMBL7219224 0.81 SMN1; SMN2 (0.44) CYP4F2CYP4A11CYP4Z1MAPTMGAM
SCHEMBL63490 0.81 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1TDP1MAPT
SCHEMBL13412641 0.80 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1TDP1PDE3B
SCHEMBL490704 0.80 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1TDP1PDE3B
SCHEMBL7226304 0.79 TSHR (0.41) CYP4F2CYP4A11TDP1MAPT
SCHEMBL7687115 0.79 HDAC8 (0.36) CYP4F2CYP4A11TDP1HRH3APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US claimed
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed
CN-1295558-A Novel local anesthetic compounds and uses ADVANCED MEDICINE INC (US) 2001-05-16 CN disclosed