SCHEMBL28326210

SCHEMBL28326210

O=C(O)CC1CC=C(C(=O)O)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 3/20 0.41
▸ SLC6A11 P48066 3/20 0.41
▸ SLC6A13 Q9NSD5 3/20 0.41

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
SCHEMBL29474993 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13
SCHEMBL29474994 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13
SCHEMBL961594 0.71 CCR2 (0.34) —
SCHEMBL963370 0.65 GABRR1 (0.35) —
SCHEMBL2466288 0.64 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13
SCHEMBL16499292 0.64 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13
SCHEMBL16512741 0.64 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13
SCHEMBL29474996 0.63 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13
SCHEMBL28327425 0.63 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13
SCHEMBL27545542 0.62 CHRNB2 (0.33) —

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-110343038-A A kind of treasured Rogor monomer, extract and its preparation method and application 暨南大学 2019-10-18 — — CN disclosed
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