SCHEMBL29423905

SCHEMBL29423905

CCOC(=O)C1C2Cc3cc(OCc4cc(Br)ccc4F)ccc3C21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
HPD P32754 1/20 0.39
SCN3A Q9NY46 3/20 0.38
KAT6A Q92794 1/20 0.36
ALOX5AP P20292 3/20 0.36
CCR5 P51681 1/20 0.36
CACNA1C Q13936 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL29423928 1.00 FFAR1 (0.42) FFAR1HPDSCN3AKAT6AALOX5AP
SCHEMBL18959380 0.89 FFAR1 (0.42) FFAR1HPDSCN3ACACNA1CKCNH2
SCHEMBL18940279 0.87 FFAR1 (0.46) FFAR1HPDSCN3AALOX5APKCNH2
SCHEMBL18940272 0.87 FFAR1 (0.46) FFAR1HPDSCN3AALOX5APKCNH2
SCHEMBL29423934 0.84 FFAR1 (0.35) FFAR1KAT6APOLB
SCHEMBL16846001 0.84 FFAR1 (0.35) FFAR1KAT6APOLB
SCHEMBL29423909 0.83 MAOB (0.47) FFAR1
SCHEMBL18963528 0.83 FFAR1 (0.37) FFAR1SCN3ACACNA1C
SCHEMBL16845952 0.83 FFAR1 (0.38) FFAR1SCN3ACACNA1CKCNH2
SCHEMBL29423898 0.83 FFAR1 (0.38) FFAR1SCN3ACACNA1CKCNH2

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-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed