SCHEMBL11520523

SCHEMBL11520523

C=C(C)C(=O)OCCNCCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KISS1R Q969F8 1/20 0.33
PTPN1 P18031 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPIA P62937 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
SCHEMBL11135459 0.90 TSHR (0.52) TSHRTHRBTDP1POLBAPEX1
SCHEMBL9321905 0.84 THRB (0.55) TSHRTHRBTDP1POLBAPEX1
SCHEMBL383961 0.83 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
SCHEMBL13950019 0.82 THRB (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL16268078 0.81 TSHR (0.49) TSHRTHRBTDP1POLBAPEX1
SCHEMBL331327 0.81 TSHR (0.62) TSHRTHRBTDP1POLBAPEX1
SCHEMBL3280966 0.81 TSHR (0.53) TSHRTHRBTDP1POLBAPEX1
SCHEMBL18094662 0.81 HRH3 (0.50) TSHRTHRBALDH1A1HRH3
SCHEMBL382201 0.81 TSHR (0.61) TSHRTHRBTDP1POLBAPEX1
SCHEMBL2043006 0.81 TSHR (0.37) TSHRTHRBTDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed
US-4060678-A Cationic hydrogels based on hydroxyalkyl acrylates and methacrylates PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-29 US disclosed
US-4058491-A Cationic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-15 US disclosed