SCHEMBL9767545

SCHEMBL9767545

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCN(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
DNM1 Q05193 2/20 0.51
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 2/20 0.41
EPHX1 P07099 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 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
SCHEMBL3366486 1.00 TSHR (0.69) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL427500 0.94 TSHR (0.58) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL10939056 0.94 TSHR (0.77) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL29139797 0.94 TSHR (0.77) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL9505548 0.94 TSHR (0.77) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL10348567 0.94 TSHR (0.60) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL9806862 0.93 TSHR (0.75) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL28905711 0.93 TSHR (0.74) TSHRDNM1NAAAALDH1A1THRB
SCHEMBL2777167 0.92 TSHR (0.58) TSHRDNM1NAAAALDH1A1THRB
Chloromethane SCHEMBL3318985 0.91 TSHR (0.73) TSHRDNM1NAAAALDH1A1THRB

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-4996239-A Mixture of mineral and vegetable oils, aliphatic esters, fatty acid waxes, anhydrous hydrophobic silicones NEUTROGENA CORPORATION (US) 1991-02-26 US disclosed
US-4996238-A Blend of hydrocarbon wax and silicones NEUTROGENA CORPORATION (US) 1991-02-26 US disclosed