SCHEMBL28200468

SCHEMBL28200468

CC1(C(=O)O)CCC(Cl)(C(=O)O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL13635919 0.80 FFAR3 (0.50) FFAR3ALDH1A1
SCHEMBL9152850 0.74 FFAR3 (0.56) FFAR3ALDH1A1
SCHEMBL9152847 0.74 FFAR3 (0.56) FFAR3ALDH1A1
SCHEMBL14439315 0.74 FFAR3 (0.56) FFAR3ALDH1A1
SCHEMBL11616228 0.73 FFAR3 (0.38) FFAR3
SCHEMBL1335666 0.70 FFAR3 (0.40) FFAR3ALDH1A1
SCHEMBL29184377 0.69 FFAR3 (0.50) FFAR3ALDH1A1
SCHEMBL28783711 0.68 FFAR3 (0.39) FFAR3ALDH1A1
SCHEMBL2406682 0.67
SCHEMBL21410865 0.67

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-104718213-B 5, 5-heteroaromatic anti-infective compounds 圣母大学 2018-02-27 CN disclosed