SCHEMBL28024261

SCHEMBL28024261

CC(C)OC(=O)C(N)CCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SLC15A1 P46059 1/20 0.34
LMNA P02545 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GSR P00390 2/20 0.32
NOD1 Q9Y239 1/20 0.31
DDAH1 O94760 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 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
SCHEMBL6930076 0.88 TSHR (0.37) TSHRLMNACYP4F2CYP4A11GABRP
SCHEMBL60923 0.88 TSHR (0.37) TSHRLMNACYP4F2CYP4A11GABRP
Hydrochloric Acid SCHEMBL31223210 0.86 TSHR (0.36) TSHRLMNACYP4F2CYP4A11GABRP
SCHEMBL8778638 0.84 GSR (0.45) TSHRSLC15A1LMNAGSRDPP7
SCHEMBL1838293 0.84 SLC15A1 (0.50) SLC15A1LMNADPP7GRIK1SLC1A3
SCHEMBL1838292 0.84 SLC15A1 (0.50) SLC15A1LMNADPP7GRIK1SLC1A3
SCHEMBL8778639 0.84 GSR (0.45) TSHRSLC15A1LMNAGSRDPP7
SCHEMBL1603054 0.82 GSR (0.53) GSRDPP7RNPEP
SCHEMBL6437091 0.82 GSR (0.53) GSRDPP7RNPEP
SCHEMBL8413576 0.81 LMNA (0.52) SLC15A1LMNADPP7GRIK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104711100-A Fluid composition for machining and machining method HAIMEN MINGYANG IND CO LTD 2015-06-17 CN disclosed