SCHEMBL29423927

SCHEMBL29423927

CCOC(=O)C1C2Cc3cc(OCc4c(F)ccc(B5OC(C)(C)C(C)(C)O5)c4F)ccc3C21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.34
UCHL1 P09936 1/20 0.33
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16845971 1.00 FFAR1 (0.34) FFAR1UCHL1ALDH1A1KDM4EPOLB
SCHEMBL18940277 0.90 FFAR1 (0.42) FFAR1POLB
SCHEMBL29423898 0.85 FFAR1 (0.38) FFAR1
SCHEMBL29423910 0.85 FFAR1 (0.38) FFAR1
SCHEMBL16845952 0.85 FFAR1 (0.38) FFAR1
SCHEMBL29423934 0.83 FFAR1 (0.35) FFAR1ALDH1A1KDM4EPOLBTSHR
SCHEMBL16846001 0.83 FFAR1 (0.35) FFAR1ALDH1A1KDM4EPOLBTSHR
SCHEMBL16846002 0.80 FFAR1 (0.41) FFAR1POLB
SCHEMBL29423919 0.80 FFAR1 (0.41) FFAR1POLB
SCHEMBL29423893 0.80 FFAR1 (0.41) FFAR1POLB

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