SCHEMBL10635147

SCHEMBL10635147

COc1cc(/C=C(\C)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ JUN P05412 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ CYP19A1 P11511 2/20 0.44

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
SCHEMBL10635150 1.00 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL15654450 0.88 GRIN2D (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10634985 0.83 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10634991 0.83 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6355493 0.82 TUBB1 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4864582 0.81 ALDH1A1 (0.58) TDP1MAPTALDH1A1EGFRLMNA
SCHEMBL4864567 0.81 ALDH1A1 (0.58) TDP1MAPTALDH1A1EGFRLMNA
SCHEMBL20500034 0.81 GAA (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10497247 0.81 GAA (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10497242 0.81 GAA (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 — — US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 — — EP claimed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 — — US disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 — — EP disclosed
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