SCHEMBL29137345

SCHEMBL29137345

CC(=O)OC1CC(F)(F)C(=O)c2ccc(I)cc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.32
TUBB P07437 3/20 0.32
TUBA3C P0DPH7 3/20 0.32
TUBA1B P68363 3/20 0.32
TUBA4A P68366 3/20 0.32
TUBB4B P68371 3/20 0.32
TUBB3 Q13509 3/20 0.32
TUBB2A Q13885 3/20 0.32
TUBB8 Q3ZCM7 3/20 0.32
TUBA3E Q6PEY2 3/20 0.32
TUBA1A Q71U36 3/20 0.32
TUBA1C Q9BQE3 3/20 0.32
TUBB6 Q9BUF5 3/20 0.32
TUBB2B Q9BVA1 3/20 0.32
TUBB1 Q9H4B7 3/20 0.32
NLRP3 Q96P20 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL29137320 0.86 TSHR (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137252 0.85 TDP2 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137223 0.85 SMN1; SMN2 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137336 0.84 KDM4E (0.36)
SCHEMBL29137286 0.84 CYP1A1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137327 0.82 ALDH1A1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137325 0.81 MEN1 (0.35) POLB
SCHEMBL29137242 0.81 POLB (0.47) POLB
SCHEMBL29137349 0.81 ABL1 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29137314 0.81 AAK1 (0.36)

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-117326923-A Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof 上海应用技术大学 2024-01-02 CN disclosed