SCHEMBL9343501

SCHEMBL9343501

COc1cc(OCc2ccc(C(C)(C)OO)cc2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 7/20 0.58
▸ TUBB4A P04350 5/20 0.58
▸ TUBB P07437 5/20 0.58
▸ TUBA3C P0DPH7 5/20 0.58
▸ TUBA1B P68363 5/20 0.58
▸ TUBA4A P68366 5/20 0.58
▸ TUBB4B P68371 5/20 0.58
▸ TUBB3 Q13509 5/20 0.58
▸ TUBB2A Q13885 5/20 0.58
▸ TUBB8 Q3ZCM7 5/20 0.58
▸ TUBA3E Q6PEY2 5/20 0.58
▸ TUBA1A Q71U36 5/20 0.58
▸ TUBA1C Q9BQE3 5/20 0.58
▸ TUBB6 Q9BUF5 5/20 0.58
▸ TUBB2B Q9BVA1 5/20 0.58
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ TNFRSF1A P19438 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL9342676 0.86 TUBB1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9347666 0.76 TUBB1 (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9342695 0.71 ALDH1A1 (0.54) APPNR4A2RXRARXRBMEN1
SCHEMBL9342853 0.71 ALDH1A1 (0.54) APPNR4A2RXRARXRBMEN1
SCHEMBL2094271 0.69 MAOB (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21098984 0.69 APP (0.60) MAOBAPPNR4A2RXRARXRB
SCHEMBL27998563 0.69 MAOB (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9875215 0.69 ALDH1A1 (0.50) APPNR4A2RXRARXRBMEN1
SCHEMBL6234931 0.69 MAOB (0.49) TUBB1MAOB
SCHEMBL10997425 0.68 ALDH1A1 (0.58) MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 — — EP disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 — — US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 — — EP disclosed
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