SCHEMBL4329313

SCHEMBL4329313

CC(C)C(O)C(O)C(=O)[C@@H](N)Cc1cccc(OCCN)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC7A5 Q01650 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
AKT1 P31749 2/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RY10 O00398 2/20 0.36
GPR174 Q9BXC1 2/20 0.36
GPR34 Q9UPC5 1/20 0.36

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
SCHEMBL31734856 0.80 ITGB3 (0.57) SLC7A5ITGB3ITGA2B
SCHEMBL3972716 0.79 SLC7A5 (0.46) SLC7A5ITGB3ITGA2B
SCHEMBL3841016 0.75 TRPA1 (0.53) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL3228373 0.75 TAAR1 (0.51) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL611119 0.71 TAAR1 (0.45) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL3837370 0.71 TAAR1 (0.41) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL17974304 0.70 ACHE (0.48) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL17974305 0.69 ACHE (0.45) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL31506209 0.69 LTA4H (0.47) TAAR1MAPK1L3MBTL1TSHRTDP1
SCHEMBL31506033 0.69 LTA4H (0.47) TAAR1MAPK1L3MBTL1TSHRTDP1

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
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed