SCHEMBL433353

SCHEMBL433353

C=CC(=O)OC(C)OC(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PAM P19021 1/20 0.42
KLK7 P49862 6/20 0.42
FAAH O00519 3/20 0.40
MGLL Q99685 2/20 0.40
CYP19A1 P11511 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 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
SCHEMBL7198204 0.81 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL6923787 0.81 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL632703 0.80 SLC1A3 (0.43) TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL9736825 0.79 TSHR (0.71) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL13333910 0.78 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL28654216 0.78 THRB (0.44) TSHRALDH1A1FAAHAKR1B1
SCHEMBL9646933 0.78 CTSK (0.47) TSHR
SCHEMBL27539621 0.77 ALDH1A1 (0.52) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL873430 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL6919607 0.77 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1MAPK1

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-2012010918-A2 OPTICAL DEVICES MEDICONTUR ORVOSTECHNIKAI KFT. (HU) 2012-01-26 WO disclosed