SCHEMBL1616210

SCHEMBL1616210

C=C(C)C(=O)C(C)OC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
ACE P12821 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11412003 0.84 HPGD (0.31)
SCHEMBL2958771 0.81 ACE (0.35) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL30553085 0.78 ACE (0.41) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL1297088 0.78 ACE (0.41) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL11806523 0.77 TSHR (0.50) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL513378 0.76 ACE (0.37) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL14539365 0.75 ACE (0.39) TAAR1ACEKDM4EHTTSMN1; SMN2
SCHEMBL20480981 0.75 KDM4E (0.38) KDM4EHTTSMN1; SMN2CYP2C19
SCHEMBL27209526 0.75 TP53 (0.36) TAAR1KDM4EHTTSMN1; SMN2
SCHEMBL195286 0.74 TSHR (0.42) TAAR1ACEKDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923480-B2 Photocurable hygroscopic composition and organic EL device 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-12 US claimed
US-20090045729-A1 PHOTOCURABLE HYGROSCOPIC COMPOSITION AND ORGANIC EL DEVICE 3M INNOVATIVE PROPERTIES COMPANY 2009-02-19 US claimed
WO-2007084386-A1 PHOTOCURABLE HYGROSCOPIC COMPOSITION AND ORGANIC EL DEVICE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-26 WO claimed
US-8846169-B2 Flexible encapsulating film systems 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-7923480-B2 Photocurable hygroscopic composition and organic EL device 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-12 US disclosed
US-20100272933-A1 FLEXIBLE ENCAPSULATING FILM SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY 2010-10-28 US disclosed
EP-2235131-A2 FLEXIBLE ENCAPSULATING FILM SYSTEMS 3M Innovative Properties Company (US) 2010-10-06 EP disclosed
WO-2009086095-A2 FLEXIBLE ENCAPSULATING FILM SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-09 WO disclosed
US-20090045729-A1 PHOTOCURABLE HYGROSCOPIC COMPOSITION AND ORGANIC EL DEVICE 3M INNOVATIVE PROPERTIES COMPANY 2009-02-19 US disclosed
WO-2007084386-A1 PHOTOCURABLE HYGROSCOPIC COMPOSITION AND ORGANIC EL DEVICE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-26 WO disclosed