SCHEMBL8501979

SCHEMBL8501979

CCOc1cc(CCC(N)=O)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CALM1 P0DP23 3/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
KMT2A Q03164 2/20 0.50
APP P05067 1/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
LTA4H P09960 1/20 0.49
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49

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
SCHEMBL30303113 0.90 PPARG (0.52) MAPK1L3MBTL1CALM1
SCHEMBL1032004 0.89 KDM4E (0.62) KMT2AMEN1KDM4EATMLTA4H
SCHEMBL28176844 0.89 KDM4E (0.62) KMT2AMEN1KDM4EATMLTA4H
SCHEMBL5607847 0.88 CALM1 (0.56) MAPK1L3MBTL1CALM1HDAC1HDAC2
SCHEMBL3673329 0.88 FFAR4 (0.61) L3MBTL1CALM1HDAC1HDAC2KMT2A
Hydrochloric Acid SCHEMBL10448977 0.87 KDM4E (0.61) KMT2AMEN1KDM4EATMLTA4H
SCHEMBL7995941 0.87 FFAR4 (0.60) L3MBTL1CALM1HDAC1HDAC2KMT2A
SCHEMBL21494459 0.87 PDE4D (0.59) L3MBTL1CALM1HDAC1HDAC2KMT2A
SCHEMBL4684155 0.86 ALDH1A1 (0.50) MAPK1CALM1KMT2AMEN1
SCHEMBL4426911 0.85 CDK8 (0.55) MAPK1L3MBTL1CALM1HDAC1HDAC2

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-0918746-A1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1999-06-02 EP claimed
WO-1998006692-A1 NOVEL IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORPORATION (US) 1998-02-19 WO claimed