SCHEMBL5079282

SCHEMBL5079282

O=C(OCCN1CCOCC1)OC1CC2C=CC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRCP P42785 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5074339 0.85 MEN1 (0.35) ALDH1A1KMT2ALMNAMEN1CYP3A4
SCHEMBL2138395 0.80 ATM (0.44) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL24177758 0.79 HSD17B10 (0.39) ATMALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL5352666 0.76 KDM4E (0.33) ALDH1A1KMT2ALMNAKDM4EHPGD
SCHEMBL166860 0.74 ATM (0.57) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL2142283 0.73 ATM (0.48) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL5365496 0.73 ALDH1A1 (0.37) ATMALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4402348 0.72 KDM4E (0.47) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL14449006 0.72 KDM4E (0.47) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL5347727 0.72 ALDH1A1 (0.39) ALDH1A1KMT2ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed