SCHEMBL31032685

SCHEMBL31032685

COc1cccc(/C=C(\C)C(=O)c2cc(OC)c(OC)c([Se]C)c2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 6/20 0.61
▸ TUBB4A P04350 4/20 0.61
▸ TUBB P07437 4/20 0.61
▸ TUBA3C P0DPH7 4/20 0.61
▸ TUBA1B P68363 4/20 0.61
▸ TUBA4A P68366 4/20 0.61
▸ TUBB4B P68371 4/20 0.61
▸ TUBB3 Q13509 4/20 0.61
▸ TUBB2A Q13885 4/20 0.61
▸ TUBB8 Q3ZCM7 4/20 0.61
▸ TUBA3E Q6PEY2 4/20 0.61
▸ TUBA1A Q71U36 4/20 0.61
▸ TUBA1C Q9BQE3 4/20 0.61
▸ TUBB6 Q9BUF5 4/20 0.61
▸ TUBB2B Q9BVA1 4/20 0.61
▸ NFE2L2 Q16236 2/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL31032724 0.92 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032698 0.89 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032736 0.82 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032756 0.82 TUBB1 (0.70) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032742 0.82 TUBB1 (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032744 0.80 TUBB1 (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032823 0.80 TUBB1 (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032786 0.80 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032727 0.80 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31032788 0.78 TUBB1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388384-A Organic selenium-propiophenone derivative and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-07-26 — — CN disclosed
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