SCHEMBL10898093

SCHEMBL10898093

CCCCC(CC)C(=O)OC1=C(c2ccc(C)cc2C)C(=O)C(CC)C1CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL10946356 0.81 CA2 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10898795 0.77 GAA (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10735333 0.74 GAA (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10901782 0.71 ATM (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL11453111 0.71 GAA (0.38) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL26985478 0.68 L3MBTL1 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20398518 0.68 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL20398472 0.68 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL30434995 0.68 GAA (0.49) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL10898014 0.67 GAA (0.42) 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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