SCHEMBL29038262

SCHEMBL29038262

COc1ccc(C=C2Cc3c(OC)cccc3C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.74
TUBB4A P04350 2/20 0.65
TUBB P07437 2/20 0.65
TUBA3C P0DPH7 2/20 0.65
TUBA1B P68363 2/20 0.65
TUBA4A P68366 2/20 0.65
TUBB4B P68371 2/20 0.65
TUBB3 Q13509 2/20 0.65
TUBB2A Q13885 2/20 0.65
TUBB8 Q3ZCM7 2/20 0.65
TUBA3E Q6PEY2 2/20 0.65
TUBA1A Q71U36 2/20 0.65
TUBA1C Q9BQE3 2/20 0.65
TUBB6 Q9BUF5 2/20 0.65
TUBB2B Q9BVA1 2/20 0.65
TUBB1 Q9H4B7 2/20 0.65
TYR P14679 1/20 0.58
MAOB P27338 2/20 0.54
CES2 O00748 2/20 0.53
CYP1A2 P05177 1/20 0.51

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
SCHEMBL29038258 1.00 CYP19A1 (0.74) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29038253 0.85 TUBB4A (0.57) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29038249 0.85 TUBB4A (0.57) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19949595 0.84 CYP19A1 (0.67) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19949594 0.84 CYP19A1 (0.67) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28245712 0.82 CES2 (0.72) CYP19A1TYRMAOBCES2CYP1A2
SCHEMBL28245715 0.82 CES2 (0.72) CYP19A1TYRMAOBCES2CYP1A2
SCHEMBL13299662 0.79 MAOB (0.72) CYP19A1MAOBCES2KDM4EALDH1A1
SCHEMBL3135373 0.79 MAOB (0.72) CYP19A1MAOBCES2KDM4EALDH1A1
SCHEMBL3135379 0.79 MAOB (0.72) CYP19A1MAOBCES2KDM4EALDH1A1

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-116283657-A Indenone derivative and synthetic method and application thereof 贵州大学 2023-06-23 CN disclosed