SCHEMBL27799004

SCHEMBL27799004

[CH2]C(OC(=O)C(=C)C)=C1CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.32

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
SCHEMBL27820113 0.77 SLC6A3 (0.31) SLC6A3SLC6A4
SCHEMBL27796622 0.73 SLC6A3 (0.32) SLC6A3SLC6A4
SCHEMBL2575530 0.68 SLC6A3 (0.33) SLC6A3SLC6A4
SCHEMBL8676270 0.68 SLC6A3 (0.39) SLC6A3SLC6A4
SCHEMBL27589682 0.68 SLC6A3 (0.42) SLC6A3SLC6A4
SCHEMBL27651713 0.67 SLC6A3 (0.36) SLC6A3SLC6A4
SCHEMBL27492335 0.65 SLC6A3 (0.32) SLC6A3SLC6A4
SCHEMBL27752990 0.65 SLC6A3 (0.35) SLC6A3SLC6A4
SCHEMBL4802531 0.63 ALDH1A1 (0.42)
SCHEMBL6905419 0.62 ALDH1A1 (0.65)

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
CN-101891619-A Contain carboxyl (methyl) acrylate and manufacture method thereof HITACHI CHEMICAL CO LTD 2010-11-24 CN disclosed