SCHEMBL13041004

SCHEMBL13041004

CC1(C)CCCC(C)(C)N1OC(CC(COC(=O)c1ccccc1)c1ccccc1)c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
GAA P10253 1/20 0.35
NAMPT P43490 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL17770893 1.00 L3MBTL1 (0.37) L3MBTL1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL410781 0.84 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL25501673 0.79 ALDH1A1 (0.38) ALDH1A1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL5074915 0.78 CYP1A2 (0.48) L3MBTL1ALDH1A1CYP1A2SMN1; SMN2NPSR1
SCHEMBL12285284 0.78 SMN1; SMN2 (0.33) ALDH1A1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL12285352 0.78 SMN1; SMN2 (0.33) ALDH1A1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL12285315 0.77 CYP1A2 (0.33) ALDH1A1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL12285713 0.77 GSR (0.33) CYP2D6SMN1; SMN2USP2CYP3A4
SCHEMBL12794193 0.76 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL12561108 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280201-A1 POLYMERS CONTAINING QUATERNIZED NITROGEN CORNELL RESEARCH FOUNDATION, INC. (US) 2010-11-04 US disclosed
US-7763687-B2 Polymers containing quaternized nitrogen CORNELL RESEARCH FOUNDATION, INC. (US) 2010-07-27 US disclosed
US-20070106040-A1 Polymers containing quaternized nitrogen REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-05-10 US disclosed