SCHEMBL29141963

SCHEMBL29141963

CC(=O)O[C@H]1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
DPP4 P27487 3/20 0.45
NOTUM Q6P988 2/20 0.45
FFAR4 Q5NUL3 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LIPG Q9Y5X9 8/20 0.41
LIPC P11150 3/20 0.41
ADRB1 P08588 1/20 0.41
LPL P06858 1/20 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
SCHEMBL1409535 0.79 FFAR4 (0.52) DPP4NOTUMFFAR4LIPGLIPC
SCHEMBL1410475 0.79 FFAR4 (0.52) DPP4NOTUMFFAR4LIPGLIPC
SCHEMBL1410218 0.79 FFAR4 (0.52) DPP4NOTUMFFAR4LIPGLIPC
SCHEMBL1410615 0.78 ACACB (0.45) ACACBDPP4NOTUMFFAR4LIPG
SCHEMBL4724041 0.76 NOTUM (0.47) ACACBDPP4NOTUMHRH3
SCHEMBL17392415 0.76 NOTUM (0.55) ACACBNOTUMFFAR4
SCHEMBL17392419 0.76 NOTUM (0.55) ACACBNOTUMFFAR4
SCHEMBL22499789 0.74 NOTUM (0.62) ACACBNOTUM
SCHEMBL22499786 0.74 NOTUM (0.62) ACACBNOTUM
SCHEMBL23387252 0.74 ACACB (0.47) ACACBNOTUMHRH3LIPGLIPC

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-117440774-A Biomarkers of age-related macular degeneration 倍亮生物有限责任公司 2024-01-23 CN claimed
CN-117440774-A Biomarkers of age-related macular degeneration 倍亮生物有限责任公司 2024-01-23 CN disclosed