SCHEMBL2965353

SCHEMBL2965353

Cc1cccc(OCC2(COc3ccc(C(C)CC(=O)O)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.49
FFAR4 Q5NUL3 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL3028055 0.96 FFAR1 (0.47) FFAR1FFAR4TDP1L3MBTL1ALDH1A1
SCHEMBL2946459 0.89 FFAR1 (0.54) FFAR1FFAR4TDP1L3MBTL1ALDH1A1
SCHEMBL2947118 0.88 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2970621 0.88 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPPARD
SCHEMBL2968632 0.86 FFAR1 (0.44) FFAR1FFAR4ALDH1A1TSHRSMN1; SMN2
SCHEMBL2924885 0.86 TDP1 (0.55) FFAR1FFAR4TDP1L3MBTL1SMN1; SMN2
SCHEMBL3035594 0.85 FFAR1 (0.46) FFAR1FFAR4ALDH1A1GAAPPARD
SCHEMBL10077716 0.84 FFAR1 (0.54) FFAR1FFAR4TDP1L3MBTL1SMN1; SMN2
SCHEMBL10064604 0.84 FFAR1 (0.51) FFAR1FFAR4TDP1L3MBTL1ALDH1A1
SCHEMBL231784 0.84 FFAR1 (0.59) 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 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