SCHEMBL29956860

SCHEMBL29956860

C=CC(C)Oc1ccc(C)cc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
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
CA2 P00918 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ORAI1 Q96D31 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
SCHEMBL29958018 0.83 HPGD (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29952612 0.81 IDO1 (0.39) ACHECA2LPLLIPGALDH1A1
SCHEMBL2840000 0.81 IDO1 (0.39) ACHECA2LPLLIPGALDH1A1
SCHEMBL29955908 0.78 ENPP2 (0.50) ACHEORAI1ORAI2ORAI3ALDH1A1
SCHEMBL29954844 0.76 TSHR (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29956290 0.76 ALDH1A1 (0.49) ACHECA2LPLLIPGALDH1A1
SCHEMBL29957865 0.75 HDAC1 (0.36) ACHEKDM4ETDP1
SCHEMBL15476318 0.73
SCHEMBL29951691 0.72 KDM4E (0.41) ALDH1A1KDM4EMAPK1LMNA
SCHEMBL29825745 0.71 ACHE (0.58) ACHETUBB4ATUBBTUBA3CTUBA1B

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed