SCHEMBL30929882

SCHEMBL30929882

COc1cccc(-c2c[nH]c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 15/20 0.56
TUBB4A P04350 14/20 0.56
TUBB P07437 14/20 0.56
TUBA3C P0DPH7 14/20 0.56
TUBA1B P68363 14/20 0.56
TUBA4A P68366 14/20 0.56
TUBB4B P68371 14/20 0.56
TUBB3 Q13509 14/20 0.56
TUBB2A Q13885 14/20 0.56
TUBB8 Q3ZCM7 14/20 0.56
TUBA3E Q6PEY2 14/20 0.56
TUBA1A Q71U36 14/20 0.56
TUBA1C Q9BQE3 14/20 0.56
TUBB6 Q9BUF5 14/20 0.56
TUBB2B Q9BVA1 14/20 0.56
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
KDR P35968 1/20 0.49
MAPT P10636 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
SCHEMBL29260941 1.00 TUBB1 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29260933 0.90 RXRA (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929874 0.90 RXRA (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29260970 0.88 MAPT (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929881 0.88 TUBB4A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929878 0.88 MAPT (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29260947 0.88 TUBB4A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929863 0.87 TUBB4A (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929872 0.87 TUBB4A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929865 0.87 TUBB4A (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146135-A Substituted pyrrole compound and preparation method and application thereof 沈阳药科大学 2024-06-07 CN claimed
CN-118146135-A Substituted pyrrole compound and preparation method and application thereof 沈阳药科大学 2024-06-07 CN disclosed