SCHEMBL29240035

SCHEMBL29240035

O=C(COc1ccc(Cl)cc1)O[Au]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ATF4 P18848 4/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 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
SCHEMBL3913180 0.84 PTGS2 (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL7068289 0.82 LMNA (0.59) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL27890385 0.82 PTGS2 (0.58) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11562520 0.81 PTGS2 (0.57) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5120243 0.81 PTGS2 (0.81) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11440981 0.79 MAPT (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10373354 0.78 CYP1A2 (0.60) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3913184 0.78 PTGS2 (0.58) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5207122 0.78 GAA (0.66) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10801023 0.78 PTGS2 (0.58) PTGS2CYP1A2CYP3A4CYP2C19SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118209725-A Gold nanoflower immunity side-flow chromatography test paper for detecting 4-chlorophenoxyacetic acid and preparation and application thereof 闽南师范大学 2024-06-18 — — CN disclosed
Send feedback