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SCHEMBL4968063

SCHEMBL4968063

CC(CC(=O)C1C(C)C=CCC1(C)C)OC(=O)c1cc(C(=O)OC(C)CC(=O)C2C(C)C=CCC2(C)C)cc(C(=O)OC(C)CC(=O)C2C(C)C=CCC2(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ SCN1A P35498 1/20 0.30
▸ SCN2A Q99250 1/20 0.30
▸ SCN3A Q9NY46 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL1886586 0.90 LMNA (0.43) KMT2AMEN1LMNACYP1A2CYP2D6
SCHEMBL1887608 0.86 — —
SCHEMBL1887855 0.85 MEN1 (0.33) KMT2AMEN1LMNACYP1A2CYP2D6
SCHEMBL25863671 0.79 SLC25A5 (0.32) SMN1; SMN2
SCHEMBL1887766 0.77 — —
SCHEMBL1177997 0.76 — —
SCHEMBL16863840 0.74 — —
SCHEMBL17675721 0.74 RAB9A (0.37) KMT2AMEN1CA12CA1CA2
SCHEMBL1897964 0.74 ALDH1A1 (0.38) KMT2AMEN1LMNA
SCHEMBL17962442 0.73 — —

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
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 — — EP disclosed