SCHEMBL10898014

SCHEMBL10898014

CCCCC(CC)C(=O)OC1=C(c2ccc(C)cc2F)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31

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
SCHEMBL10898795 0.90 GAA (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10735333 0.76 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11094582 0.74 ALDH1A1 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10731274 0.74 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11453111 0.72 GAA (0.38) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10736625 0.72 GAA (0.40) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10947941 0.69 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL26985478 0.68 L3MBTL1 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20398518 0.68 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30434995 0.68 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1

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
US-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
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