SCHEMBL7761525

SCHEMBL7761525

CC(=O)Cl.CCCCCCCCCCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PLA2G2C Q5R387 7/20 0.45
▸ CTSK P43235 7/20 0.45
▸ CTSS P25774 3/20 0.45
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ITGAV P06756 1/20 0.39
▸ ITGB6 P18564 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL31407501 0.94 PPARA (0.52) PPARAPPARGPLA2G2CCTSKCTSS
SCHEMBL17393 0.90 PPARA (0.53) PPARAPPARGCTSKCTSSITGB3
SCHEMBL13365298 0.90 PPARA (0.53) PPARAPPARGCTSKCTSSITGB3
SCHEMBL805173 0.90 PPARA (0.53) PPARAPPARGCTSKCTSSITGB3
SCHEMBL24633954 0.84 PPARA (0.55) PPARAPPARGCTSKCTSSITGB3
SCHEMBL21837471 0.84 PPARA (0.55) PPARAPPARGCTSKCTSSITGB3
SCHEMBL21837472 0.84 PPARA (0.55) PPARAPPARGCTSKCTSSITGB3
SCHEMBL28854983 0.82 CTSK (0.46) PLA2G2CCTSKCTSSBCHEACHE
SCHEMBL5139651 0.82 CTSK (0.55) PPARACTSKCTSSITGAVITGB6
SCHEMBL5139652 0.82 CTSK (0.55) PPARACTSKCTSSITGAVITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251882-B1 TREATING LEUKEMIA, BREAST CANCER, PROSTATE CANCER, OR BRAIN TUMOR PARKER HUGHES INSTITUTE 2001-06-26 — — US claimed
EP-1091934-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 — — EP claimed
WO-2000000469-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 — — WO claimed
US-6251882-B1 TREATING LEUKEMIA, BREAST CANCER, PROSTATE CANCER, OR BRAIN TUMOR PARKER HUGHES INSTITUTE 2001-06-26 — — US disclosed
EP-1091934-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 — — EP disclosed
WO-2000000469-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 — — WO disclosed
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