SCHEMBL634038

SCHEMBL634038

CCC(C(=O)ON(CC)CC)N1C(=O)CCC(N2Cc3cscc3C2=O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.34
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL633679 0.88 CRBN (0.33) CRBNAKR1C3AKR1C2
SCHEMBL633345 0.78 HDAC6 (0.36) CRBN
SCHEMBL632680 0.74 GAA (0.44) CRBNAKR1C3AKR1C2
SCHEMBL632686 0.73 CRBN (0.36) CRBN
SCHEMBL632618 0.72 CRBN (0.40) CRBN
SCHEMBL633493 0.72 HDAC6 (0.37) CRBN
SCHEMBL632688 0.71 CRBN (0.56) CRBN
SCHEMBL632924 0.71 CRBN (0.41) CRBN
SCHEMBL632588 0.70 HDAC6 (0.37) CRBN
SCHEMBL632597 0.69 CRBN (0.39) CRBN

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-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 EP disclosed