SCHEMBL29954329

SCHEMBL29954329

COc1ccc(COc2ccccc2)cc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
MAOB P27338 2/20 0.47
LIPE Q05469 1/20 0.47
ENPP2 Q13822 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL21979582 0.85 MAOB (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30358377 0.81 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2012283 0.81 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22166261 0.78 LIPE (0.46) MAOBLIPEENPP2ALDH1A1LMNA
SCHEMBL6500766 0.76 LIPE (0.59) MAOBLIPEENPP2MRGPRX4SMN1; SMN2
SCHEMBL29954212 0.76 LIPE (0.64) MAOBLIPEENPP2MRGPRX4RAB9A
SCHEMBL2463490 0.75 ENPP2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5991497 0.75 ENPP2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2119709 0.75 ALDH1A1 (0.59) MAOBRAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL29951717 0.75 ENPP2 (0.46) ENPP2MEN1KMT2ARAB9AALDH1A1

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