SCHEMBL31397665

SCHEMBL31397665

COc1ccc(Cl)c(B(O)O)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39
TUBA1A Q71U36 3/20 0.39
TUBA1C Q9BQE3 3/20 0.39
TUBB6 Q9BUF5 3/20 0.39
TUBB2B Q9BVA1 3/20 0.39
TUBB1 Q9H4B7 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ORAI1 Q96D31 1/20 0.38

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
SCHEMBL23302065 1.00 ENPP2 (0.39) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29956443 0.84 ENPP2 (0.45) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21979585 0.84 ENPP2 (0.45) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4265709 0.82 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31466938 0.82 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1796152 0.80 TUBB4A (0.49) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4266378 0.79 ENPP2 (0.38) ENPP2KDM4EALDH1A1ORAI1ORAI2
SCHEMBL29955469 0.79 ENPP2 (0.38) ENPP2KDM4EALDH1A1ORAI1ORAI2
SCHEMBL23214534 0.78 ENPP2 (0.41) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29512391 0.78 ENPP2 (0.41) 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
CN-119424423-A 4-Aminobut-2-enamide derivatives and salts thereof 大鹏药品工业株式会社 2025-02-14 CN disclosed