SCHEMBL14583

SCHEMBL14583

Bc1ccc(-c2noc(C)c2C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTBP1 P26599 1/20 0.51
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2923610 0.89 ATM (0.64) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL3294932 0.87 POLB (0.57) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL286034 0.86 ALDH1A1 (0.61) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL286360 0.86 GPBAR1 (0.62) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL2776267 0.86 TSHR (0.70) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL13674 0.86 CACNA1F (0.62) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL899450 0.86 POLB (0.56) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL536297 0.86 TSHR (0.74) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL2775071 0.85 GAA (0.64) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL1776304 0.84 MAPK1 (0.57) POLBALOX15TSHRMAPK1L3MBTL1

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-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed