SCHEMBL7219224

SCHEMBL7219224

CCOC(=O)Cc1cc(C)[c]c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
CYP4Z1 Q86W10 1/20 0.43
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 1/20 0.39
PAM P19021 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
SCHEMBL10463129 0.83 SMN1; SMN2 (0.42) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL7219207 0.81 CYP4F2 (0.57) CYP4Z1GAAMGAMSIMGAM2
SCHEMBL2384365 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL28673281 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL1872932 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CYP4Z1GAAALDH1A1MAPT
SCHEMBL9202564 0.78 HSP90AB1 (0.66) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL13492121 0.78 GAA (0.48) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL68851 0.77 CYP4Z1 (0.62) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL24843182 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP4Z1GAAMGAMSI
SCHEMBL2381215 0.77 MAOB (0.44) SMN1; SMN2CYP4Z1GAAMGAMSI

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-6462034-B1 MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION THERAVANCE, INC. 2002-10-08 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed