SCHEMBL6172803

SCHEMBL6172803

CCOc1ccc(C(=O)O)nc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 3/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
P4HTM Q9NXG6 3/20 0.44
S1PR1 P21453 1/20 0.43
GLA P06280 1/20 0.42
ECE1 P42892 1/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
POLB P06746 2/20 0.39
CASP6 P55212 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL16372341 0.83 POLB (0.40) L3MBTL1KDM4ETSHRPDE4APDE4B
SCHEMBL15287018 0.83 L3MBTL1 (0.49) L3MBTL1KDM4ETSHRPDE4APDE4B
SCHEMBL10367588 0.79 FDPS (0.39) L3MBTL1KDM4ETSHRPDE4APDE4B
SCHEMBL25049213 0.78 FDPS (0.43) L3MBTL1KDM4ETSHRP4HTMHSD17B10
SCHEMBL1145866 0.78 MAPK8 (0.56) L3MBTL1KDM4EMAPTTDP1GAA
SCHEMBL30892452 0.76 P4HTM (0.55) P4HTMMEN1KMT2AMCL1
SCHEMBL24983586 0.76 P4HTM (0.55) P4HTMMEN1KMT2AMCL1
SCHEMBL17142039 0.74 KMO (0.49)
SCHEMBL29040335 0.73 MAPK8 (0.44) TSHRLMNA
SCHEMBL16372383 0.73 KDM4E (0.50) L3MBTL1KDM4EECE1TDP1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed