SCHEMBL28815934

SCHEMBL28815934

CCOC(=O)C(=CNc1ccc(C(F)(F)F)cc1)C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 1.00
DHODH Q02127 5/20 0.71
KDM4E B2RXH2 4/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL25190936 0.90 NPSR1 (0.81) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL10863692 0.88 DHODH (0.90) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL5174507 0.85 NPSR1 (0.72) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL5174510 0.85 NPSR1 (0.72) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL25188950 0.84 NPSR1 (0.72) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL4742564 0.84 NPSR1 (0.72) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL846104 0.84 DHODH (0.77) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL5046712 0.83 DHODH (1.00) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL25494544 0.83 NPSR1 (0.70) NPSR1DHODHKDM4EMAPK1LMNA
SCHEMBL25184818 0.82 DHODH (0.79) NPSR1DHODHKDM4EMAPK1LMNA

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
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 CN disclosed
CN-114751858-A Quinolinyl-containing tranexamic acid derivative, preparation and application thereof 沈阳药科大学 2022-07-15 CN disclosed