SCHEMBL31318322

SCHEMBL31318322

C=C(C=O)c1ccc(OC)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 4/20 0.55
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55
▸ TUBA1B P68363 2/20 0.55
▸ TUBA4A P68366 2/20 0.55
▸ TUBB4B P68371 2/20 0.55
▸ TUBB3 Q13509 2/20 0.55
▸ TUBB2A Q13885 2/20 0.55
▸ TUBB8 Q3ZCM7 2/20 0.55
▸ TUBA3E Q6PEY2 2/20 0.55
▸ TUBA1A Q71U36 2/20 0.55
▸ TUBA1C Q9BQE3 2/20 0.55
▸ TUBB6 Q9BUF5 2/20 0.55
▸ TUBB2B Q9BVA1 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ AOX1 Q06278 1/20 0.54
▸ PDE4D Q08499 3/20 0.53
▸ PDE4B Q07343 3/20 0.53
▸ PDE4A P27815 2/20 0.53

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
SCHEMBL2127017 0.86 MEN1 (0.61) ALDH1A1CYP1A2MAPTSLC22A6SLC22A8
SCHEMBL10674510 0.86 TSHR (0.58) ALDH1A1PDE4DPDE4BPDE4APDE4C
SCHEMBL28245506 0.81 TUBB1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19462991 0.78 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18776639 0.78 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2221669 0.77 CA12 (0.50) RECQLMAPTRAB9A
Isovanillic Acid Methyl Ester SCHEMBL29497236 0.77 CA1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28575503 0.77 TUBB4A (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Isovanillic Acid Methyl Ester SCHEMBL57367 0.77 CA1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28568628 0.76 TUBB4A (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-119306789-B Preparation method of Edwan sweet 山东奔月生物科技股份有限公司 2025-05-02 — — CN disclosed
CN-119306789-A Preparation method of Edwan sweet 山东奔月生物科技股份有限公司 2025-01-14 — — CN disclosed
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