SCHEMBL22294646

SCHEMBL22294646

CCCCOCCOCC(C)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.42
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
LPAR2 Q9HBW0 1/20 0.39
USP2 O75604 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HSD17B10 Q99714 1/20 0.37
RARB P10826 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL573964 0.96 TDP1 (0.48) TDP1TSHRCYP3A4HTTMEN1
SCHEMBL80455 0.96 TDP1 (0.52) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL28729672 0.91 TDP1 (0.53) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL17897871 0.91 TDP1 (0.48) TDP1HTTLPAR1LPAR3LPAR2
SCHEMBL28728615 0.91 TDP1 (0.53) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL431994 0.91 TDP1 (0.53) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL429585 0.91 TDP1 (0.53) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL230477 0.91 TDP1 (0.53) TDP1TSHRCYP3A4HTTLPAR1
SCHEMBL17111071 0.91 TDP1 (0.42) TDP1TSHRCYP3A4HTTMEN1
SCHEMBL4891281 0.89 TDP1 (0.55) TDP1TSHRCYP3A4HTTLPAR1

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
EP-3463293-B1 INJECTABLE SOLUTION AT PH 7, COMPRISING AT LEAST ONE BASAL INSULIN WHOSE PI IS BETWEEN 5.8 AND 8.5, A PRANDIAL INSULIN AND/OR A GASTROINTESTINAL HORMONE, AND A COPOLYAMINO ACID BEARING CARBOXYLATE CHARGES AND HYDROPHOBIC RADICALS ADOCIA (FR) 2021-05-12 EP disclosed
EP-3463294-B1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION, COMPRISING HUMAN GLUCAGON AND A STATISTICAL COPOLYAMINO ACID ADOCIA (FR) 2020-08-05 EP disclosed