SCHEMBL31589078

SCHEMBL31589078

COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 1.00
TUBB P07437 6/20 1.00
TUBA3C P0DPH7 6/20 1.00
TUBA1B P68363 6/20 1.00
TUBA4A P68366 6/20 1.00
TUBB4B P68371 6/20 1.00
TUBB3 Q13509 6/20 1.00
TUBB2A Q13885 6/20 1.00
TUBB8 Q3ZCM7 6/20 1.00
TUBA3E Q6PEY2 6/20 1.00
TUBA1A Q71U36 6/20 1.00
TUBA1C Q9BQE3 6/20 1.00
TUBB6 Q9BUF5 6/20 1.00
TUBB2B Q9BVA1 6/20 1.00
TUBB1 Q9H4B7 6/20 1.00
NR0B1 P51843 1/20 0.86
XDH P47989 2/20 0.78
MAPT P10636 3/20 0.74
PKM P14618 1/20 0.74
ABCB1 P08183 3/20 0.73

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
SCHEMBL31589366 1.00 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Centaureidin SCHEMBL9953 0.93 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13560795 0.93 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29649084 0.93 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Artemetin SCHEMBL2122576 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Artemetin SCHEMBL29416756 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1764647 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Artemetin SCHEMBL29550082 0.91 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21874514 0.91 TUBB4A (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21049240 0.88 TUBB4A (0.90) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-120037284-A Traditional Chinese medicine composition for treating stomach cancer precancerous lesions by inhibiting cell aging 王彦刚 2025-05-27 CN disclosed