SCHEMBL22365347

SCHEMBL22365347

COC(=O)C(C)Cc1cccc(OCC2CC2c2cccc(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.58
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ SCN3A Q9NY46 1/20 0.46
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL22365404 0.92 FFAR1 (0.56) FFAR1SCN3A
SCHEMBL22365327 0.91 FFAR1 (0.64) FFAR1HTR2AHTR2CHTR2B
SCHEMBL22365291 0.86 FFAR1 (0.58) FFAR1
SCHEMBL22365412 0.83 FFAR1 (0.61) FFAR1
SCHEMBL22365374 0.82 FFAR1 (0.61) FFAR1SCN3A
SCHEMBL22365351 0.81 FFAR1 (0.56) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL8802456 0.81 TAAR1 (0.61) —
SCHEMBL22365427 0.80 FFAR1 (0.62) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL22365266 0.80 FFAR1 (0.58) FFAR1SCN3A
SCHEMBL22365225 0.80 FFAR1 (0.58) 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
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