SCHEMBL29951996

SCHEMBL29951996

COc1ccc(B(O)O)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47
TUBB6 Q9BUF5 4/20 0.47
TUBB2B Q9BVA1 4/20 0.47
TUBB1 Q9H4B7 4/20 0.47
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL5796549 1.00 ENPP2 (0.50) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6828096 0.87 TUBB4A (0.49) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3687594 0.87 TUBB4A (0.49) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7273425 0.85 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16290747 0.80 ENPP2 (0.65) ENPP2ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL29793327 0.80 ACHE (0.52) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL3938364 0.80 CA2 (0.43) ENPP2ORAI1ORAI2ORAI3MAPT
SCHEMBL1635785 0.80 ACHE (0.52) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL23439 0.77 TUBB4A (0.51) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29956577 0.77 ENPP2 (0.40) ENPP2TUBB4ATUBBTUBA3CTUBA1B

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