SCHEMBL28626430

SCHEMBL28626430

Cc1oc(C(=O)O)cc1-c1cccc(OC(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.54
DRD1 P21728 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 1/20 0.38
GAPDH P04406 1/20 0.38

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
SCHEMBL29742939 1.00 PTGER4 (0.54) PTGER4DRD1THRATHRBRXRA
SCHEMBL29742884 0.86 PIM1 (0.53) PTGER4THRATHRB
SCHEMBL28626376 0.86 PIM1 (0.53) PTGER4THRATHRB
SCHEMBL29742912 0.85 PTGER4 (0.61) PTGER4MAPTGAPDH
SCHEMBL28641494 0.76 ALDH1A1 (0.53) PTGER4DRD1RXRARXRBTAS2R14
SCHEMBL31223864 0.76 ALDH1A1 (0.53) PTGER4DRD1RXRARXRBTAS2R14
SCHEMBL28636888 0.76 ALDH1A1 (0.48) PTGER4
SCHEMBL29742860 0.76 ALDH1A1 (0.48) PTGER4
SCHEMBL29742877 0.74 DRD1 (0.50) PTGER4DRD1THRATHRBRXRA
SCHEMBL28641731 0.74 DRD1 (0.50) PTGER4DRD1THRATHRBRXRA

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-113444081-B Thiadiazole carboxamide compounds and application thereof 浙江大学 2022-07-05 CN disclosed
CN-113444081-A Thiadiazole amide compound and application thereof 浙江大学 2021-09-28 CN disclosed