SCHEMBL29956443

SCHEMBL29956443

COc1ccc(OC)c(B(O)O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
MAPT P10636 2/20 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
SCHEMBL21979585 1.00 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL1796152 0.87 TUBB4A (0.49) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL7236021 0.84 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL13744644 0.84 TUBB1 (0.42) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL23302065 0.84 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL31397665 0.84 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL5782965 0.83 TUBB1 (0.36) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL3974098 0.81 ERN1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5785513 0.81 PDE4A (0.44) ENPP2ORAI1ORAI2ORAI3TUBB4A
SCHEMBL23439 0.77 TUBB4A (0.51) ENPP2ORAI1ORAI2ORAI3TUBB4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118390199-A Modified PBT-PET sheath-core composite fiber and preparation method thereof 江苏恒科新材料有限公司 2024-07-26 CN claimed
CN-118390199-A Modified PBT-PET sheath-core composite fiber and preparation method thereof 江苏恒科新材料有限公司 2024-07-26 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed