SCHEMBL4540016

SCHEMBL4540016

C=CCC(O)(CC=C)CCCCN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
NFKB1 P19838 1/20 0.32
PDE3A Q14432 1/20 0.31
DDAH1 O94760 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL4541645 0.93 FDPS (0.37) FDPSPDE3A
SCHEMBL4541934 0.87 ACACB (0.33) FDPS
SCHEMBL4534528 0.83 ALDH1A1 (0.33) FDPSPDE3ALMNA
SCHEMBL4542520 0.82
SCHEMBL7779142 0.79 TSHR (0.30) TSHR
SCHEMBL27414372 0.76 TSHR (0.32) TSHR
SCHEMBL4623887 0.76 TSHR (0.44) FDPSTSHR
SCHEMBL4561208 0.76
SCHEMBL10609365 0.76 MAPT (0.31)
SCHEMBL5337637 0.76 SIGMAR1 (0.30)

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
EP-1777239-B1 Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same LG CHEMICAL LTD (KR) 2014-09-10 EP disclosed
US-7592404-B2 Half metallocene catalyst and process for preparing syndiotactic styren polymer using the same LG CHEM, LTD. (KR) 2009-09-22 US disclosed
US-20070105710-A1 Half metallocene catalyst and process for preparing syndiotactic styren polymer using the same LG CHEM, LTD. (KR) 2007-05-10 US disclosed
EP-1777239-A1 Half-metallocene catalyst and process for preparing syndiotactic styrene polymer using the same LG Chem Ltd. (KR) 2007-04-25 EP disclosed