SCHEMBL13604142

SCHEMBL13604142

CC(O)CN(C)C[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
AOC3 Q16853 1/20 0.31
PIK3CD O00329 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
SCHEMBL78076 1.00 TSHR (0.41) TSHRTDP1ALDH1A1LMNARECQL
SCHEMBL24464156 1.00 TSHR (0.41) TSHRTDP1ALDH1A1LMNARECQL
SCHEMBL12659394 1.00 TSHR (0.41) TSHRTDP1ALDH1A1LMNARECQL
SCHEMBL14216838 1.00 TSHR (0.41) TSHRTDP1ALDH1A1LMNARECQL
Hydrochloric Acid SCHEMBL10397581 0.97 TSHR (0.39) TSHRTDP1ALDH1A1LMNARECQL
SCHEMBL12315039 0.91 PIK3CD (0.42) TSHRTDP1ALDH1A1RECQLAOC3
SCHEMBL11790009 0.87 PIK3CD (0.39) TSHRTDP1ALDH1A1LMNAKDM4E
SCHEMBL22446658 0.86 TSHR (0.32) TSHRTDP1ALDH1A1AOC3
SCHEMBL1409068 0.86 SIGMAR1 (0.38) TSHRTDP1ALDH1A1
Sulfurous Acid SCHEMBL8978397 0.86 TSHR (0.32) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150024219-A1 AROMATIC SECONDARY ADHESIVE COMPOSITIONS CONTAINING AMINOSILANE SIKA TECHNOLOGY AG (CH) 2015-01-22 US disclosed
EP-2128103-A1 Aromatic secondary adhesive compound containing aminosilane Sika Technology AG (CH) 2009-12-02 EP disclosed