SCHEMBL29134885

SCHEMBL29134885

O=C(O)[C@H]1CC1c1cc(Cl)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
SLC9A1 P19634 3/20 0.38
HDAC4 P56524 1/20 0.37
GRM4 Q14833 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMO O15229 2/20 0.34

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
SCHEMBL29134884 1.00 FFAR1 (0.43) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL23357835 1.00 FFAR1 (0.43) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL30015566 1.00 FFAR1 (0.43) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL6994974 0.88 FFAR1 (0.49) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL8150011 0.88 FFAR1 (0.49) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL6994971 0.88 FFAR1 (0.49) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL8150013 0.88 FFAR1 (0.49) FFAR1SLC9A1HDAC4GRM4MEN1
SCHEMBL30335012 0.81 SLC6A4 (0.39) SLC9A1
SCHEMBL23380747 0.81 SLC6A4 (0.39) SLC9A1
SCHEMBL24737993 0.80 GRM4 (0.47) FFAR1SLC9A1GRM4MAPT

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-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed