SCHEMBL3779368

SCHEMBL3779368

O=C(O)CC1CC/C=C\CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA4 P48169 1/20 0.39
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL3779370 1.00 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL7072429 0.91 SLC6A12 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11150873 0.86 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3083484 0.81 KDM4E (0.35) EPHX2TDP1KDM4EALDH1A1POLB
SCHEMBL22587458 0.81 KDM4E (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL92858 0.81 KDM4E (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL221946 0.79
SCHEMBL177588 0.79
SCHEMBL1379607 0.78 SLC6A12 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL19726855 0.77 KMT2A (0.42) EPHX2TDP1POLBEPHX1HPGD

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-7858710-B2 Highly organized polyolefin structures UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-28 US disclosed
US-20090306319-A1 Highly Organized Polyolefin Structures UNIVERSITY OF FLORDIA RESEARCH FOUNDATION, INC. (US) 2009-12-10 US disclosed
WO-2007127690-A1 HIGHLY ORGANIZED POLYOLEFIN STRUCTURES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-11-08 WO disclosed