SCHEMBL3028055

SCHEMBL3028055

Cc1cccc(OCC2(COc3ccc(C(C)CC(=O)O)cc3)CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CMKLR1 Q99788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
PPARD Q03181 2/20 0.39

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
SCHEMBL2965353 0.96 FFAR1 (0.49) FFAR1SMN1; SMN2FFAR4TDP1L3MBTL1
SCHEMBL10064604 0.90 FFAR1 (0.51) FFAR1FFAR4TDP1L3MBTL1CMKLR1
SCHEMBL10064534 0.86 FFAR1 (0.43) FFAR1SMN1; SMN2FFAR4CMKLR1ALDH1A1
SCHEMBL2946459 0.85 FFAR1 (0.54) FFAR1FFAR4TDP1L3MBTL1CMKLR1
SCHEMBL233281 0.85 FFAR1 (0.57) FFAR1
SCHEMBL2924885 0.84 TDP1 (0.55) FFAR1SMN1; SMN2FFAR4TDP1L3MBTL1
SCHEMBL2947118 0.83 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2970621 0.83 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPPARD
SCHEMBL10077716 0.83 FFAR1 (0.54) FFAR1SMN1; SMN2FFAR4TDP1L3MBTL1
SCHEMBL2968632 0.82 FFAR1 (0.44) FFAR1SMN1; SMN2FFAR4ALDH1A1TSHR

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-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed