SCHEMBL28659072

SCHEMBL28659072

COc1ccc(CC(F)c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[KH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.47
TUBB4A P04350 6/20 0.47
TUBB P07437 6/20 0.47
TUBA3C P0DPH7 6/20 0.47
TUBA1B P68363 6/20 0.47
TUBA4A P68366 6/20 0.47
TUBB4B P68371 6/20 0.47
TUBB3 Q13509 6/20 0.47
TUBB2A Q13885 6/20 0.47
TUBB8 Q3ZCM7 6/20 0.47
TUBA3E Q6PEY2 6/20 0.47
TUBA1A Q71U36 6/20 0.47
TUBA1C Q9BQE3 6/20 0.47
TUBB6 Q9BUF5 6/20 0.47
TUBB2B Q9BVA1 6/20 0.47
LDHA P00338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
INPPL1 O15357 1/20 0.39
AKT1 P31749 1/20 0.39
INPP5A Q14642 1/20 0.39

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
SCHEMBL28654468 0.99 TUBB1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Potassium Ion SCHEMBL28659074 0.86 TUBB1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13991618 0.79 TUBB4A (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Piperazine SCHEMBL1508698 0.78 TUBB1 (0.42) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28655383 0.75 KDM4E (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28654690 0.75 ABCB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28333979 0.74 KDM4E (0.40) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28655367 0.74 TUBB4A (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25657154 0.72 LDHA (0.53) LDHAINPPL1AKT1INPP5AALOX15
SCHEMBL15472829 0.72 TUBB4A (0.78) 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-110526805-B Fluorine substituted diphenylethane derivative, preparation method and application 上海应用技术大学 2021-12-07 CN disclosed