SCHEMBL16319171

SCHEMBL16319171

CCC(C)(C)C(OCCOC)c1cc(O)ccc1-c1cc(OC)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.41
USP7 Q93009 1/20 0.36

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
SCHEMBL16318717 0.89 FFAR1 (0.46) FFAR1USP7
SCHEMBL16318736 0.87 FFAR1 (0.46) FFAR1
SCHEMBL16318618 0.82 FFAR1 (0.45) FFAR1USP7
SCHEMBL12222582 0.79 FFAR1 (0.47) FFAR1
SCHEMBL12222585 0.79 FFAR1 (0.47) FFAR1
SCHEMBL12442856 0.77 FFAR1 (0.43) FFAR1
SCHEMBL2312981 0.76 FFAR1 (0.49) FFAR1
SCHEMBL2318347 0.76 FFAR1 (0.49) FFAR1
SCHEMBL12220597 0.76 FFAR1 (0.48) FFAR1
SCHEMBL12220639 0.76 FFAR1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed