SCHEMBL11223664

SCHEMBL11223664

C=C(C)C(=O)OCCCCCCN(CCCCCCCC)CCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.80
THRB P10828 2/20 0.47
NAAA Q02083 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.41
THRA P10827 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL1336680 1.00 TSHR (0.80) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL28679639 0.97 TSHR (0.74) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL2830555 0.95 TSHR (0.71) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL28432695 0.95 TSHR (0.71) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL2832317 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL10526650 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL6914198 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL12346282 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL1323804 0.93 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
Iodide SCHEMBL28802515 0.92 TSHR (0.67) TSHRTHRBNAAAPOLBAPEX1

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
EP-0055728-A4 HYDROPHILIC INTERPOLYMERS OF ACRYLIC ACID AND AN ACRYLATE. GOODRICH CO B F (US) 1982-08-11 EP disclosed
EP-0055728-A1 HYDROPHILIC INTERPOLYMERS OF ACRYLIC ACID AND AN ACRYLATE The B.F. GOODRICH Company (US) 1982-07-14 EP disclosed
EP-0047009-A1 Hydrophilic interpolymers of acrylic acid and an olefin or a styrene The B.F. GOODRICH Company (US) 1982-03-10 EP disclosed
WO-1982000147-A1 HYDROPHILIC INTERPOLYMERS OF ACRYLIC ACID AND AN ACRYLATE GOODRICH CO B F (US) 1982-01-21 WO disclosed