SCHEMBL22365351

SCHEMBL22365351

COC(=O)CCc1cccc(OCC2CC2c2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.56
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ SCN3A Q9NY46 1/20 0.48
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ GAA P10253 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
SCHEMBL22365427 0.90 FFAR1 (0.62) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL22365347 0.81 FFAR1 (0.58) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL22365327 0.80 FFAR1 (0.64) FFAR1HTR2AHTR2CHTR2B
SCHEMBL63100 0.80 HDAC1 (0.61) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL3929685 0.78 KDM5A (0.48) FFAR1GAA
SCHEMBL8088837 0.78 FFAR1 (0.55) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL8088838 0.78 FFAR1 (0.55) FFAR1HTR2AHTR2CHTR2BSCN3A
SCHEMBL17000376 0.77 FFAR1 (0.84) FFAR1
SCHEMBL8088922 0.75 MTNR1A (0.49) HDAC1HDAC6GLA
SCHEMBL8088924 0.75 MTNR1A (0.49) HDAC1HDAC6GLA

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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