SCHEMBL14427612

SCHEMBL14427612

COc1cc(/C=C(\C)C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 12/20 0.81
▸ TUBB4A P04350 7/20 0.81
▸ TUBB P07437 7/20 0.81
▸ TUBA3C P0DPH7 7/20 0.81
▸ TUBA1B P68363 7/20 0.81
▸ TUBA4A P68366 7/20 0.81
▸ TUBB4B P68371 7/20 0.81
▸ TUBB3 Q13509 7/20 0.81
▸ TUBB2A Q13885 7/20 0.81
▸ TUBB8 Q3ZCM7 7/20 0.81
▸ TUBA3E Q6PEY2 7/20 0.81
▸ TUBA1A Q71U36 7/20 0.81
▸ TUBA1C Q9BQE3 7/20 0.81
▸ TUBB6 Q9BUF5 7/20 0.81
▸ TUBB2B Q9BVA1 7/20 0.81
▸ MAPT P10636 1/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL6129147 0.89 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6344292 0.85 TUBB1 (0.70) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6776585 0.83 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6776580 0.83 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129111 0.83 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6346609 0.83 TUBB1 (0.74) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6345988 0.82 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6352937 0.82 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6355493 0.81 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27176082 0.81 AKR1C2 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 — — US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 — — US disclosed
WO-2007081966-A2 SMALL MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-07-19 — — WO disclosed
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