SCHEMBL27657804

SCHEMBL27657804

C=CCOC(CC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL1817041 0.92 TSHR (0.41) TSHRALDH1A1MEN1KMT2ADNM1
SCHEMBL28634941 0.88 TSHR (0.39) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13672292 0.87 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL7876709 0.84 TSHR (0.33) TSHRALDH1A1
SCHEMBL25125852 0.83 TSHR (0.43) TSHRALDH1A1DNM1
SCHEMBL16107215 0.83 TSHR (0.43) TSHRALDH1A1DNM1
SCHEMBL9563150 0.82 MEN1 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL1446648 0.82
SCHEMBL29287268 0.80 TSHR (0.41) TSHRALDH1A1DNM1
SCHEMBL15978448 0.80 TSHR (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087776-B Organic compound, charge transport material, and organic electroluminescent element PIONEER CORP 2012-07-04 CN disclosed
CN-101076528-B Organic compound, charge transport material, and organic electroluminescent device MITSUBISHI CHEM CORP 2012-06-20 CN disclosed
CN-101638380-A Compound, charge transport material, and organic electroluminescent element MITSUBISHI CHEM CORP JP 2010-02-03 CN disclosed
CN-100586244-C Compound, charge transport material, and organic electroluminescent element MITSUBISHI CHEM CORP 2010-01-27 CN disclosed
CN-101087776-A Organic compound, charge transport material, and organic electroluminescent element PIONEER CORP (JP) 2007-12-12 CN disclosed
CN-101076528-A Organic compound, charge transport material, and organic electroluminescent device PIONEER ELECTRONIC CORP (JP) 2007-11-21 CN disclosed
CN-1833470-A Compound, charge transport material, and organic electroluminescent element MITSUBISHI CHEM CORP (JP) 2006-09-13 CN disclosed