SCHEMBL4813728

SCHEMBL4813728

CC(C)(Br)C(=O)C(C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
ALDH1A1 P00352 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CHRM3 P20309 1/20 0.34
RAD52 P43351 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DHODH Q02127 1/20 0.33
EPHX2 P34913 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12868350 0.83 EPHX1 (0.52) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL13301086 0.70 EPHX1 (0.58) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL8462548 0.70 EPHX1 (0.41) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL13911916 0.69 EPHX1 (0.47) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL11197502 0.69 EPHX1 (0.64) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL7786725 0.69 EPHX1 (0.56) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL11239875 0.68 MMP2 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL12744562 0.68 EPHX1 (0.40) EPHX1CA12CA1CA2MMP2
SCHEMBL17316191 0.67 EPHX1 (0.61) EPHX1ALDH1A1EPHX2NPC1RAB9A
SCHEMBL66996 0.67 EPHX1 (0.61) EPHX1ALDH1A1EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368509-B2 Functional norbornenes and polymeric derivatives and fabrication thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-05-06 US disclosed
US-20070167580-A1 Functional norbornenes and polymeric derivatives and fabrication thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-07-19 US disclosed
US-7205359-B2 Functional norbornenes as initiators for radical polymerization, their polymeric derivatives and a process for producing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-04-17 US disclosed
US-20050182220-A1 Novel functional norbornenes as initiators for radical polymerization, their polymeric derivatives and a process for producing the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOY (TW) 2005-08-18 US disclosed