SCHEMBL2957874

SCHEMBL2957874

COC(=O)CC(C)c1ccc(OCC2(COc3cccc(C(C)(C)C)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.38
FFAR1 O14842 8/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
TNF P01375 1/20 0.35
TRPA1 O75762 1/20 0.35
FAAH O00519 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2968632 0.91 FFAR1 (0.44) SOD1FFAR1PPARGPPARDALDH1A1
SCHEMBL10064534 0.89 FFAR1 (0.43) SOD1FFAR1PPARGPPARDALDH1A1
SCHEMBL232151 0.86 FFAR1 (0.48) FFAR1
SCHEMBL2935044 0.86 FFAR1 (0.47) SOD1FFAR1PPARGPPARDALDH1A1
SCHEMBL2975161 0.85 FFAR1 (0.42) FFAR1ALDH1A1MEN1KMT2A
SCHEMBL3035594 0.81 FFAR1 (0.46) FFAR1PPARGPPARDALDH1A1FAAH
SCHEMBL2977034 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAA
SCHEMBL232971 0.78 FFAR1 (0.56) FFAR1
SCHEMBL10064536 0.78 CYP2D6 (0.39) FFAR1PPARGALDH1A1TNF
SCHEMBL2918902 0.77 FFAR1 (0.52) SOD1FFAR1PPARGPPARDALDH1A1

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