SCHEMBL31233232

SCHEMBL31233232

COc1ccc(/C=C/C(=O)c2ccccc2OC)cc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.76
TUBB1 Q9H4B7 5/20 0.72
TUBB4A P04350 4/20 0.72
TUBB P07437 4/20 0.72
TUBA3C P0DPH7 4/20 0.72
TUBA1B P68363 4/20 0.72
TUBA4A P68366 4/20 0.72
TUBB4B P68371 4/20 0.72
TUBB3 Q13509 4/20 0.72
TUBB2A Q13885 4/20 0.72
TUBB8 Q3ZCM7 4/20 0.72
TUBA3E Q6PEY2 4/20 0.72
TUBA1A Q71U36 4/20 0.72
TUBA1C Q9BQE3 4/20 0.72
TUBB6 Q9BUF5 4/20 0.72
TUBB2B Q9BVA1 4/20 0.72
MAOB P27338 2/20 0.71
ACHE P22303 1/20 0.71
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67

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
SCHEMBL25191764 1.00 ABCG2 (0.76) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL25188874 0.92 MAOB (0.85) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL25265209 0.92 MAOB (0.85) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL23951755 0.92 ABCG2 (0.76) ABCG2MAOBACHEPTGS1PTGS2
SCHEMBL31233136 0.92 ABCG2 (0.76) ABCG2MAOBACHEPTGS1PTGS2
SCHEMBL25266095 0.92 ABCG2 (0.76) ABCG2MAOBACHEPTGS1PTGS2
SCHEMBL25191352 0.90 TUBB1 (0.64) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL25223591 0.89 ABCG2 (0.68) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL30383519 0.89 ABCG2 (0.68) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL25191295 0.89 PTGS1 (0.85) ABCG2MAOBACHEPTGS1PTGS2

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
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed