SCHEMBL7268786

SCHEMBL7268786

O=C1CC[C@H](NCc2ccccc2COC(=O)c2ccccc2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.53
DDB1 Q16531 11/20 0.53
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.41
IKZF3 Q9UKT9 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 1/20 0.37

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
SCHEMBL7268793 1.00 CRBN (0.53) CRBNDDB1MAPK1NPSR1PPARG
SCHEMBL4394121 0.83 CRBN (0.46) CRBNDDB1TDP1
SCHEMBL4394120 0.83 CRBN (0.46) CRBNDDB1TDP1
SCHEMBL4399379 0.79 CRBN (0.56) CRBNDDB1IKZF3
SCHEMBL4388040 0.79 CRBN (0.56) CRBNDDB1IKZF3
SCHEMBL4388041 0.79 CRBN (0.56) CRBNDDB1IKZF3
SCHEMBL6690877 0.79 CRBN (0.60) CRBNDDB1IKZF3
SCHEMBL4400886 0.78 CRBN (0.56) CRBNDDB1
SCHEMBL4400882 0.78 CRBN (0.56) CRBNDDB1
SCHEMBL4388045 0.75 CRBN (0.54) CRBNDDB1IKZF3

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
US-6656937-B2 Immunology moderators; interleukin antagonist; anticancer agents GRUENENTHAL, GMBH (DE) 2003-12-02 US claimed
US-6656937-B2 Immunology moderators; interleukin antagonist; anticancer agents GRUENENTHAL, GMBH (DE) 2003-12-02 US disclosed