SCHEMBL2181964

SCHEMBL2181964

CCO[Si](OCC)(OCC)C(Cc1ccccc1)[Si](OCC)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.47
SIGMAR1 Q99720 3/20 0.47
SLC6A2 P23975 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
EPHX1 P07099 1/20 0.45
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.40
SLC18A2 Q05940 1/20 0.39
ANPEP P15144 1/20 0.39
TP53 P04637 1/20 0.39
MMP8 P22894 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
SCHEMBL28065353 0.82 SIGMAR1 (0.45) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL27791298 0.82 TAAR1 (0.37) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL27866299 0.81 SLC6A2 (0.50) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL926956 0.81 SLC6A2 (0.33) SLC6A2MAOASLC6A4SLC6A3CYP2D6
SCHEMBL1765853 0.81 TRPA1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL22245282 0.81 TAAR1 (0.39) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL1972957 0.79 TAAR1 (0.38) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL1730609 0.79 TAAR1 (0.50) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL614548 0.79 ALDH1A1 (0.43) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL4590844 0.79 ALDH1A1 (0.40) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100426-A1 A NANOPARTICLE OF CORE-SHELL TYPE, A METHOD FOR PREPARING THE SAME, A METHOD FOR PREPARING A LOW DIELECTRIC INSULATION FILM BY USING THE SAME, AND A LOW DIELECTRIC INSULATION FILM PREPARED THEREFROM POSTECH FOUNDATION (KR) 2005-10-27 WO claimed
EP-2519270-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES SurModics, Inc. (US) 2012-11-07 EP disclosed
WO-2011082296-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES SURMODICS, INC. (US) 2011-07-07 WO disclosed
WO-2005100426-A1 A NANOPARTICLE OF CORE-SHELL TYPE, A METHOD FOR PREPARING THE SAME, A METHOD FOR PREPARING A LOW DIELECTRIC INSULATION FILM BY USING THE SAME, AND A LOW DIELECTRIC INSULATION FILM PREPARED THEREFROM POSTECH FOUNDATION (KR) 2005-10-27 WO disclosed