SCHEMBL29454654

SCHEMBL29454654

COC(=O)C[C@@H](c1cccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FFAR1 O14842 10/20 0.47
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29454543 0.85 FFAR1 (0.60) FFAR1
SCHEMBL22717447 0.85 FFAR1 (0.60) FFAR1
SCHEMBL22717448 0.85 FFAR1 (0.60) FFAR1
SCHEMBL29454586 0.82 FFAR1 (0.43) FFAR1MAPK1MEN1ALDH1A1KMT2A
SCHEMBL22717404 0.82 FFAR1 (0.43) FFAR1MAPK1MEN1ALDH1A1KMT2A
SCHEMBL22717401 0.82 FFAR1 (0.43) FFAR1MAPK1MEN1ALDH1A1KMT2A
SCHEMBL29454653 0.81 RAB9A (0.49) MAPTTDP1FFAR1ALDH1A1KMT2A
SCHEMBL21688300 0.78 FFAR1 (0.56) FFAR1MEN1ALDH1A1KMT2A
SCHEMBL22717243 0.77 FFAR1 (0.55) FFAR1
SCHEMBL22717523 0.77 FFAR1 (0.64) FFAR1

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
EP-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 EP disclosed