SCHEMBL1301293

SCHEMBL1301293

COC(=O)C(N)CCCC=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SLC15A1 P46059 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RY10 O00398 1/20 0.34
GPR174 Q9BXC1 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
LTA4H P09960 2/20 0.34
DDAH1 O94760 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC1A1 P43005 1/20 0.32
GSR P00390 1/20 0.31

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
SCHEMBL13662314 0.88 P2RY10 (0.36) MAPTSLC15A1CA1CA2P2RY10
SCHEMBL27686000 0.88 P2RY10 (0.36) MAPTSLC15A1CA1CA2P2RY10
SCHEMBL16330498 0.83 ZDHHC7 (0.45) SLC15A1CA1CA2ZDHHC7LTA4H
SCHEMBL9383516 0.83 CA1 (0.43) SLC15A1CA1CA2ZDHHC7LTA4H
SCHEMBL1300124 0.83 MAPT (0.47) MAPTSLC15A1DPP7TSHR
SCHEMBL13248790 0.83 ALDH1A1 (0.46) MAPTCA1CA2LTA4HDDAH1
SCHEMBL1271958 0.83 ALDH1A1 (0.46) MAPTCA1CA2LTA4HDDAH1
SCHEMBL8653964 0.82 HIF1A (0.35) MAPTSLC15A1TSHRHIF1AGSR
SCHEMBL23451025 0.81 ADH1B (0.41) SLC15A1CA1CA2ZDHHC7LTA4H
SCHEMBL7430683 0.81 GRIK1 (0.39) CA1CA2P2RY10GPR174ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106460019-A Method of producing nylon 赢创德固赛有限公司 2017-02-22 CN disclosed
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed