SCHEMBL5189402

SCHEMBL5189402

COc1ccc(C=C(C#N)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(C)N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 4/20 0.61
▸ TUBB P07437 4/20 0.61
▸ TUBA3C P0DPH7 4/20 0.61
▸ TUBA1B P68363 4/20 0.61
▸ TUBA4A P68366 4/20 0.61
▸ TUBB4B P68371 4/20 0.61
▸ TUBB3 Q13509 4/20 0.61
▸ TUBB2A Q13885 4/20 0.61
▸ TUBB8 Q3ZCM7 4/20 0.61
▸ TUBA3E Q6PEY2 4/20 0.61
▸ TUBA1A Q71U36 4/20 0.61
▸ TUBA1C Q9BQE3 4/20 0.61
▸ TUBB6 Q9BUF5 4/20 0.61
▸ TUBB2B Q9BVA1 4/20 0.61
▸ TUBB1 Q9H4B7 4/20 0.61
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ NQO1 P15559 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
Hydrochloric Acid SCHEMBL5607052 0.99 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL5191040 0.90 PDE4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL5193802 0.88 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5607539 0.86 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5192285 0.85 PDE4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5191999 0.85 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL5190935 0.85 PDE4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5191775 0.84 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL5189397 0.84 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27616021 0.83 TUBB1 (0.61) 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
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 — — EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 — — WO disclosed
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