SCHEMBL30826293

SCHEMBL30826293

COc1ccc(Cc2ccccc2)c(OC)c1C(=O)O.COc1cccc(OC)c1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PRKCZ Q05513 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FOLH1 Q04609 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ELANE P08246 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL29212751 0.88 CA12 (0.50) MEN1KMT2ACA1CA2CA12
SCHEMBL27638666 0.83 KMT2A (0.61) MEN1KMT2ACA1CA2CA12
SCHEMBL2580651 0.79 KMT2A (0.56) MEN1KMT2ACA1CA2CA12
SCHEMBL17652833 0.76 PRKCZ (0.49) MEN1KMT2APRKCZPOLBNPC1
SCHEMBL28097048 0.76 TDP1 (0.56) MEN1KMT2ACA1CA2CA12
SCHEMBL20830632 0.75 KMT2A (0.52) MEN1KMT2ACA1CA2CA12
SCHEMBL4598359 0.74 RXRA (0.56) CA1CA2CA12CA7CA9
SCHEMBL28171736 0.73 RAB9A (0.65) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL28101447 0.72 MEN1 (0.55) MEN1KMT2ACA1CA2CA12
SCHEMBL18280539 0.72 CA1 (0.50) MEN1KMT2ACA1CA2CA12

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-117752736-A Traditional Chinese medicine composition for preventing and treating bordetella gallinarum as well as preparation method and application thereof 四川农业大学 2024-03-26 CN disclosed