SCHEMBL22365404

SCHEMBL22365404

COC(=O)C(C)Cc1cccc(OCC2CC2c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 16/20 0.56
▸ SCN3A Q9NY46 2/20 0.55
▸ KDM1A O60341 2/20 0.43

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
SCHEMBL22365347 0.92 FFAR1 (0.58) FFAR1SCN3A
SCHEMBL22365374 0.90 FFAR1 (0.61) FFAR1SCN3A
SCHEMBL22365266 0.86 FFAR1 (0.58) FFAR1SCN3A
SCHEMBL22365350 0.85 FFAR1 (0.56) FFAR1
SCHEMBL22365327 0.84 FFAR1 (0.64) FFAR1
SCHEMBL22365237 0.81 ACACA (0.50) —
SCHEMBL22365447 0.80 GPR88 (0.43) FFAR1
SCHEMBL22365454 0.80 FFAR1 (0.42) FFAR1
SCHEMBL22365453 0.79 FFAR1 (0.60) FFAR1
SCHEMBL22365407 0.79 FFAR1 (0.43) 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-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 — — EP disclosed
Send feedback