SCHEMBL29145682

SCHEMBL29145682

COc1cc(C=O)cc(Oc2ccc(-c3ccccc3)cc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
POLB P06746 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
ERN1 O75460 1/20 0.50

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
SCHEMBL30633099 1.00 TTR (0.58) TTRPOLBMEN1KMT2ATUBB4A
SCHEMBL4945903 0.82 TTR (0.69) TTRPOLBMEN1KMT2ATUBB4A
SCHEMBL20545861 0.79 TUBB4A (0.51) TTRPOLBMEN1KMT2ATUBB4A
SCHEMBL30541333 0.79 TUBB4A (0.51) TTRPOLBMEN1KMT2ATUBB4A
SCHEMBL16619850 0.78 ALDH1A1 (0.59) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL96635 0.78 ALDH1A1 (0.59) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL26936576 0.77 ALDH1A1 (0.57) TTRTUBB4ATUBBTUBA3CTUBA1B
Anisaldehyde SCHEMBL9484986 0.77 TUBB1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL23711567 0.76 ALDH1A1 (0.57) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4008475 0.75 TTR (0.60) TTRPOLBMEN1KMT2ATUBB4A

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-116948616-A Pressure-bearing epoxy resin plugging material for oil-based drilling fluid 西南石油大学 2023-10-27 CN claimed
CN-116948616-A Pressure-bearing epoxy resin plugging material for oil-based drilling fluid 西南石油大学 2023-10-27 CN disclosed