SCHEMBL10015464

SCHEMBL10015464

CCC(O)COC(=O)C(C)CC(CC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 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
SCHEMBL10015479 0.89 CA1 (0.35) CA1CA2CYP3A4CYP2C19
SCHEMBL13924641 0.79 CA1 (0.44) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL9891386 0.78 KDM4E (0.35) CYP3A4CYP2C19
SCHEMBL10015480 0.76 CA1 (0.32) CA1CA2
SCHEMBL11960690 0.76 CA2 (0.50) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL14033060 0.75 CA1 (0.37) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL15827034 0.75 MAPT (0.41) CA1CA2CYP3A4CYP2C19GAA
SCHEMBL10030397 0.74 CHRM1 (0.49) CYP2C19GAA
SCHEMBL14106345 0.74 CA1 (0.36) CA1CA2
SCHEMBL17285775 0.74 CHRM1 (0.41) CA1CA2CYP3A4CYP2C19GAA

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-8728326-B2 Polymer and methods for preparing and using the same GENERAL ELECTRIC COMPANY (US) 2014-05-20 — — US disclosed
US-20120152851-A1 POLYMER AND METHODS FOR PREPARING AND USING THE SAME BL TECHNOLOGIES, INC. 2012-06-21 — — US disclosed
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