SCHEMBL28114610

SCHEMBL28114610

NC(=O)CCCCC(=O)OC1=NCCS1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TARDBP Q13148 1/20 0.32
HPGD P15428 2/20 0.31
MAPT P10636 2/20 0.31
ALOX12 P18054 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MGLL Q99685 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
SCHEMBL27559309 0.93 LMNA (0.35) SMN1; SMN2ALDH1A1POLBTSHRL3MBTL1
SCHEMBL28146668 0.92 LMNA (0.34) SMN1; SMN2ALDH1A1POLBTSHRL3MBTL1
SCHEMBL27349011 0.90 LMNA (0.35) SMN1; SMN2ALDH1A1POLBTSHRL3MBTL1
SCHEMBL27482160 0.86 LMNA (0.37) SMN1; SMN2ALDH1A1POLBTSHRLMNA
SCHEMBL28081315 0.84 MGLL (0.43) SMN1; SMN2TSHRLMNAKMT2AMAPT
SCHEMBL27532016 0.84 MGLL (0.43) SMN1; SMN2TSHRLMNAKMT2AMAPT
SCHEMBL27286202 0.84 MGLL (0.43) SMN1; SMN2TSHRLMNAKMT2AMAPT
SCHEMBL27294144 0.80 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TSHRLMNAKMT2A
SCHEMBL28090263 0.80 LMNA (0.35) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL27259920 0.79 HPGD (0.37) SMN1; SMN2ALDH1A1POLBLMNAKMT2A

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-106125522-A Toner 株式会社东芝 2016-11-16 CN disclosed