SCHEMBL28155239

SCHEMBL28155239

CC(C)(C)OOC(=O)c1ccc(OCCCCCCCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.49
PLA2G4B P0C869 4/20 0.48
TP53 P04637 1/20 0.48
ALB P02768 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL26091641 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL557204 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL20567660 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL4538607 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL2183439 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL4540684 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL1745096 0.86 PPARA (0.58) PPARATSHRGAAPLA2G4BTP53
SCHEMBL27305573 0.84 TSHR (0.56) TSHRALDH1A1HSD17B10TDP1PLA2G4B
SCHEMBL7814103 0.81 MAPT (0.70) PPARATSHRTDP1GAAPLA2G4B
SCHEMBL27302733 0.81 TSHR (0.56) TSHRALDH1A1HSD17B10TDP1PLA2G4B

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
CN-104519902-B Double acylated GLP-1 derivatives 诺和诺德股份有限公司 2017-10-27 CN disclosed
CN-107266558-A The derivatives of GLP 1 诺沃—诺迪斯克有限公司 2017-10-20 CN disclosed
CN-104411322-B Double acylated GLP-1 derivatives 诺和诺德股份有限公司 2017-05-24 CN disclosed