SCHEMBL8077288

SCHEMBL8077288

C=C(C)C(=O)OCc1ccc(N(CCCC)CCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CNR2 P34972 3/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ESRRG P62508 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL8063529 0.92 ESRRG (0.44) TSHREGFRERBB2CNR2THRB
SCHEMBL8072062 0.85 MAPT (0.44) TSHRCNR2ESRRGALDH1A1SMN1; SMN2
SCHEMBL2602527 0.84 ALDH1A1 (0.42) TSHRTHRATHRBALDH1A1SMN1; SMN2
SCHEMBL22360623 0.83 ALDH1A1 (0.39) TSHRTHRBESRRGALDH1A1SMN1; SMN2
SCHEMBL10665718 0.81 THRB (0.53) TSHREGFRTHRATHRBALDH1A1
SCHEMBL1262293 0.81 THRB (0.46) TSHREGFRERBB2CNR2NR1H2
SCHEMBL8063771 0.80 ELANE (0.47) TSHREGFRERBB2CNR2THRB
SCHEMBL254038 0.80 ALDH1A1 (0.50) TSHRTHRBALDH1A1POLBMAPK1
SCHEMBL13783907 0.80 THRB (0.59) TSHREGFRTHRATHRBALDH1A1
SCHEMBL1468923 0.79 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2MAPTKDM4E

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-20220135842-A1 SINGLE-COMPONENT ADHESIVE COMPOSITIONS OHIO STATE INNOVATION FOUNDATION 2022-05-05 US disclosed
US-6033819-A FIXABLE COMPONENT HAS A MICRO PHASE SEPARATION STRUCTURE OF A LIQUID CONTINUOUS PHASE AND A DISPERSE PHASE CONTAINING A RESIN AND HAVING A GLASS TRANSITION TEMPERATURE OF NOT HIGHER THAN 20 DEGREES, CONTAINING A BLOCK OR GRAFT POLYMER FUJI XEROX CO., LTD. (JP) 2000-03-07 US disclosed