SCHEMBL7184412

SCHEMBL7184412

CC(O)OC(=O)C1CCCC(C(=O)OC(C)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RECQL P46063 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
BTK Q06187 1/20 0.31
GAA P10253 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
SCHEMBL1246359 0.85 TSHR (0.37) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL4211014 0.85 SMN1; SMN2 (0.43) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL7193917 0.82 SMN1; SMN2 (0.33) SMN1; SMN2HTTKMT2ATDP1RAB9A
SCHEMBL21570116 0.82
SCHEMBL28698314 0.82
SCHEMBL28741130 0.82
SCHEMBL5363137 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL1296865 0.79 CHRNB2 (0.43) CHRM2CHRM4CHRM3SMN1; SMN2LMNA
SCHEMBL4483084 0.79 BTK (0.41) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL5372188 0.79 HPGD (0.39) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2

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-20150105485-A1 URETHANE FOAM RUBBER AND COMPOSITION FOR FORMING URETHANE FOAM RUBBER YAMAHA CORPORATION (JP) 2015-04-16 US disclosed
EP-2860208-A1 Urethane foam rubber and composition for forming urethane foam rubber YAMAHA CORPORATION (JP) 2015-04-15 EP disclosed
US-20030036620-A1 From an aromatic isocyanate having a structure in which the isocyanate groups are not directly bonded to a benzene ring, an aliphatic isocyanate, an alicyclic isocyanate, and derivatives of these isocyanates. MITSUI CHEMICALS, INC. (JP) 2003-02-20 US disclosed
EP-1167416-A1 URETHANE RESIN COMPOSITION FOR SEALING OPTOELECTRIC CONVERSION DEVICES Mitsui Chemicals, Inc. (JP) 2002-01-02 EP disclosed