SCHEMBL30350554

SCHEMBL30350554

COC(=O)CCN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.60
HRH3 Q9Y5N1 6/20 0.45
KCNH2 Q12809 5/20 0.45
CASP3 P42574 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
GRM5 P41594 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL19510658 1.00 AOC3 (0.60) AOC3HRH3KCNH2CASP3ITGB3
SCHEMBL1500259 0.88 AOC3 (0.47) AOC3CASP3ITGB3PRMT5WDR77
SCHEMBL22713778 0.86 AOC3 (0.61) AOC3HRH3KCNH2ITGB3ITGA2B
SCHEMBL22713735 0.85 AOC3 (0.69) AOC3ITGB3ITGA2BPRMT5WDR77
SCHEMBL15690244 0.82 AOC3 (0.56) AOC3MAPT
SCHEMBL2178732 0.81 HDAC6 (0.46) AOC3CASP3PRMT5WDR77
SCHEMBL1817669 0.80 GRM5 (0.61) HRH3KCNH2PRMT5WDR77GRM5
SCHEMBL18766026 0.80 KDM4E (0.46) AOC3CASP3ITGB3ITGA2B
SCHEMBL19511001 0.78 AOC3 (0.53) AOC3HRH3KCNH2ITGB3ITGA2B
SCHEMBL30345542 0.78 AOC3 (0.53) AOC3HRH3KCNH2ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed