SCHEMBL29628801

SCHEMBL29628801

COc1ccc(C(=O)C(C)CC(=O)O)c(F)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
GAA P10253 1/20 0.36
CTSA P10619 7/20 0.35
GRM2 Q14416 1/20 0.35
MMEL1 Q495T6 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL20607176 1.00 FFAR1 (0.37) FFAR1GAACTSAGRM2MMEL1
SCHEMBL20607466 0.88 PDE4A (0.40) GRM2LMNAMAPK1HTTMAPT
SCHEMBL29628796 0.88 PDE4A (0.40) GRM2LMNAMAPK1HTTMAPT
SCHEMBL20607335 0.85 FFAR1 (0.36) FFAR1GAACTSAGRM2MMEL1
SCHEMBL20607185 0.80 GRM2 (0.35) GRM2
SCHEMBL29628832 0.80 GRM2 (0.35) GRM2
SCHEMBL20607158 0.75 IMPDH2 (0.35) GAACTSA
SCHEMBL5482341 0.74 LMNA (0.47) GAALMNAMAPK1HTTRAB9A
SCHEMBL2843396 0.73 HTT (0.60) FFAR1LMNAMAPK1HTTRAB9A
SCHEMBL20607313 0.73 PDE4A (0.40) GRM2LMNAHTTMAPT

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-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 CN disclosed