SCHEMBL10069349

SCHEMBL10069349

CC1=CCC(C)(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.42
GRM4 Q14833 1/20 0.35
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 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
SCHEMBL18466440 0.79 FFAR3 (0.44) FFAR3MAPK1HSD11B1
SCHEMBL1751400 0.79 FFAR3 (0.44) FFAR3MAPK1HSD11B1
SCHEMBL24802650 0.71 NPC1 (0.40) FFAR3
SCHEMBL28207642 0.71 FFAR3 (0.39) FFAR3MAPK1
SCHEMBL21181627 0.69 FFAR3 (0.43) FFAR3
SCHEMBL3505753 0.67 GLI1 (0.34) FFAR3
SCHEMBL29171605 0.67 ALDH1A1 (0.31) FFAR3
SCHEMBL20446702 0.67 GLI1 (0.34) FFAR3
SCHEMBL3864826 0.66
SCHEMBL20295660 0.66

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
WO-2012013208-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2012-02-02 WO disclosed