SCHEMBL713645

SCHEMBL713645

C=Cc1ccccc1OCC(CC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 4/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IGF1R P08069 1/20 0.35

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
SCHEMBL6283927 0.88 IGF1R (0.39) ALDH1A1TSHRLMNAKDM4EMAPK1
SCHEMBL4808689 0.86 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL1777606 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL37992 0.80 TDP1 (0.45) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL406835 0.80 CYP1A2 (0.56) ALDH1A1CYP3A4TSHRLMNAMAPK1
SCHEMBL12581112 0.79 CYP3A4 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL13732601 0.79 CYP3A4 (0.49) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL19612465 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL30002958 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2TSHRLMNA
SCHEMBL924662 0.78 CYP1A2 (0.50) ALDH1A1CYP3A4LMNAL3MBTL1CYP1A2

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-8877541-B2 Nanostructure and photovoltaic cell implementing same Q1 NANOSYSTEMS, INC. (US) 2014-11-04 US disclosed
US-20130189810-A1 Nanostructure and Photovoltaic Cell Implementing Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-25 US disclosed
US-20130014799-A1 NANOSTRUCTURE AND PHOTOVOLTAIC CELL IMPLEMENTING SAME REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2013-01-17 US disclosed
US-8124250-B2 includes two electrodes, an organic film layer with a substance having a benzothiadiazole skeleton, a metal oxide layer provided on the organic film layer by vacuum vapor deposition, and an interface between the pair of electrodes; stable light emitting display without sealing SEIKO EPSON CORPORATION (JP) 2012-02-28 US disclosed
US-20080280162-A1 Organic electronic device SEIKO EPSON CORPORATION (JP) 2008-11-13 US disclosed