SCHEMBL4655855

SCHEMBL4655855

CCCCCCCCCC(C)(C)OC(C)N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
SPHK1 Q9NYA1 1/20 0.36
SMPD1 P17405 5/20 0.35
FDPS P14324 1/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
GGPS1 O95749 1/20 0.32
DNM1 Q05193 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.32

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
Propionic Acid SCHEMBL4656190 0.88 GRIK1 (0.38) TSHRMEN1KMT2AALDH1A1
SCHEMBL554730 0.83 LMNA (0.36) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL15578250 0.83 LMNA (0.36) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL6002178 0.82 SMPD1 (0.34) OPRM1SPHK1SMPD1FDPSTSHR
Hydrochloric Acid SCHEMBL28437105 0.80 DNM1 (0.33) OPRM1SPHK1SMPD1FDPSTSHR
SCHEMBL24008653 0.79 TSHR (0.33) SMPD1FDPSTSHRTHRBGGPS1
SCHEMBL28001875 0.78 OPRM1 (0.37) OPRM1SPHK1SMPD1FDPSGGPS1
SCHEMBL4940464 0.77 FDPS (0.33) SPHK1SMPD1FDPSGGPS1
SCHEMBL15328861 0.76 LMNA (0.37) OPRM1SPHK1SMPD1FDPSTSHR
SCHEMBL8824228 0.75 GGPS1 (0.33) SMPD1FDPSGGPS1

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
EP-1627646-B1 Cleaning and disinfecting agent for medical instruments with improved effectiveness against Hepatitis B Virus BODE CHEMIE GMBH & CO KG (DE) 2008-12-03 EP claimed
EP-1126014-B1 Cleaning and sanitizing systems for medical devices BODE CHEMIE GMBH & CO (DE) 2004-01-28 EP claimed