SCHEMBL30834749

SCHEMBL30834749

CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(c2ccco2)C2=C(CCCC2=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 20/20 1.00
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL5064643 0.84 FFAR3 (1.00) FFAR3KDM4E
SCHEMBL13998205 0.84 FFAR3 (0.73) FFAR3KDM4E
SCHEMBL5202041 0.79 FFAR3 (0.76) FFAR3KDM4E
SCHEMBL3265079 0.78 FFAR3 (0.74) FFAR3KDM4E
SCHEMBL2990862 0.75 KDM4E (0.66) FFAR3KDM4E
SCHEMBL15859427 0.73 FFAR3 (0.58) FFAR3KDM4E
SCHEMBL13333632 0.71 KDM4E (0.73) FFAR3KDM4E
SCHEMBL13998206 0.71 FFAR3 (0.71) FFAR3KDM4E
SCHEMBL15859333 0.71 FFAR3 (0.74) FFAR3KDM4E
SCHEMBL15866579 0.71 FFAR3 (0.62) FFAR3KDM4E

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-117679444-A Bacteroides thetaiotaomicron and application of MCM enzyme thereof in maintaining intestinal barrier steady state and improving intestinal inflammation 上海交通大学医学院附属瑞金医院 2024-03-12 CN disclosed