SCHEMBL1327196

SCHEMBL1327196

C=C(C)C(=O)OCCN(CCCCCC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
THRB P10828 2/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 1/20 0.40
ZDHHC20 Q5W0Z9 3/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CES2 O00748 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1326500 0.94 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14127247 0.94 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5282198 0.84 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18674241 0.83 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9773059 0.83 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10526650 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2832317 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12346282 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6914198 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1323804 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT

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
US-8319222-B2 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-11-27 US disclosed
US-8221880-B2 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-07-17 US disclosed
US-8187706-B2 2012-05-29 US disclosed
US-20110281119-A1 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2011-11-17 US disclosed
US-20090280332-A1 Adhesive composition SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2009-11-12 US disclosed