SCHEMBL4675656

SCHEMBL4675656

Cc1oc(CCl)nc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GABRR1 P24046 1/20 0.36
AGBL2 Q5U5Z8 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
NR4A2 P43354 2/20 0.32
NR4A1 P22736 1/20 0.32
NR4A3 Q92570 1/20 0.32
HSD17B10 Q99714 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
RAB9A P51151 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL22275513 0.77 KDM4E (0.31) KDM4E
SCHEMBL13765709 0.77 KDM4E (0.57) KDM4EGABRR1AGBL2MAPTSMN1; SMN2
SCHEMBL4885546 0.74 KDM4E (0.58) KDM4EMAPTSMN1; SMN2HPGDNR4A2
SCHEMBL348144 0.74 HCRTR1 (0.35) HPGD
SCHEMBL9411909 0.74
SCHEMBL10808093 0.73 KDM4E (0.43) KDM4ESMN1; SMN2GAARAB9A
SCHEMBL8947745 0.71 GABRP (0.34) MAPTHPGDGAARAB9A
SCHEMBL5558215 0.71 KDM4E (0.51) KDM4EGABRR1AGBL2MAPTSMN1; SMN2
SCHEMBL15637053 0.69 KDM4E (0.49) KDM4EGABRR1AGBL2MAPTSMN1; SMN2
SCHEMBL11008533 0.68 KDM4E (0.76) KDM4EMAPTHPGDHSD17B10PPARG

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-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-0603419-A1 NOVEL THIAZOLIDINEDIONE COMPOUND AND USE THEREOF Japan Tobacco Inc. (JP) 1994-06-29 EP disclosed