SCHEMBL3811066

SCHEMBL3811066

[CH2]C(CCCC)NCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.42
DNM1 Q05193 2/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
THRB P10828 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARA Q07869 2/20 0.34

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
SCHEMBL10527068 0.95 EPHX1 (0.42) EPHX1DNM1TSHRALDH1A1ADH1B
SCHEMBL8964539 0.88 ALDH1A1 (0.42) EPHX1DNM1TSHRALDH1A1ADH1B
SCHEMBL6312146 0.87 EPHX1 (0.39) EPHX1DNM1TSHRALDH1A1ADH1B
SCHEMBL9469715 0.85 TSHR (0.52) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9470907 0.85 TSHR (0.52) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9470772 0.85 TSHR (0.52) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9470271 0.85 TSHR (0.52) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL6422454 0.84 ALDH1A1 (0.39) EPHX1DNM1TSHRALDH1A1ADH1B
SCHEMBL28149401 0.80 EPHX1 (0.41) EPHX1DNM1TSHRALDH1A1ADH1B
SCHEMBL27890930 0.79 LMNA (0.39) DNM1TSHRADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed