SCHEMBL29260970

SCHEMBL29260970

COc1cc(C(=O)c2cc(-c3cccc(C)c3)c[nH]2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
TUBB4A P04350 15/20 0.53
TUBB P07437 15/20 0.53
TUBA3C P0DPH7 15/20 0.53
TUBA1B P68363 15/20 0.53
TUBA4A P68366 15/20 0.53
TUBB4B P68371 15/20 0.53
TUBB3 Q13509 15/20 0.53
TUBB2A Q13885 15/20 0.53
TUBB8 Q3ZCM7 15/20 0.53
TUBA3E Q6PEY2 15/20 0.53
TUBA1A Q71U36 15/20 0.53
TUBA1C Q9BQE3 15/20 0.53
TUBB6 Q9BUF5 15/20 0.53
TUBB2B Q9BVA1 15/20 0.53
TUBB1 Q9H4B7 15/20 0.53
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL30929878 1.00 MAPT (0.53) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929882 0.88 TUBB1 (0.56) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29260941 0.88 TUBB1 (0.56) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30929881 0.88 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29260947 0.88 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30929863 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30929865 0.87 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30929872 0.87 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30929866 0.87 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29260969 0.87 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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