SCHEMBL18940257

SCHEMBL18940257

CCCC(=O)C1=C(OC(=O)CC)CC(C(C)(C)C(C)(C)C)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.32
▸ ACP1 P24666 3/20 0.32
▸ CDC25B P30305 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ HPSE Q9Y251 1/20 0.32
▸ PRKCA P17252 5/20 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
SCHEMBL18940256 0.80 MAOA (0.35) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL21555849 0.75 PRKCA (0.36) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL18919859 0.75 CYP1A2 (0.41) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL9269479 0.64 — —
SCHEMBL17356820 0.62 PTPN1 (0.38) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL18940255 0.61 MAOA (0.41) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL21973203 0.61 MAOA (0.41) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL21555847 0.60 PTPN1 (0.40) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL21973204 0.56 PTPN1 (0.36) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL18919577 0.56 PTPN1 (0.48) PTPN1ACP1CDC25BMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017095319-A1 COMPOUNDS AND METHODS OF TREATING BACTERIAL INFECTIONS ULTUPHARMA AB (SE) 2017-06-08 — — WO disclosed
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