SCHEMBL6640950

SCHEMBL6640950

CC(C)(C)C1(C(=O)O)CC(N2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.39
DDB1 Q16531 4/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
STK33 Q9BYT3 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
F10 P00742 4/20 0.35
PRSS12 P56730 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EGFR P00533 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4303217 0.83 STK33 (0.43) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL4310755 0.78 L3MBTL1 (0.42) CRBNDDB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4316646 0.78 ALDH1A1 (0.41) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL6216650 0.76 ALDH1A1 (0.38) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL4307094 0.72 F10 (0.45) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL4312090 0.72 KMT2A (0.45) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL4305880 0.72 ACHE (0.41) CRBNDDB1MAP1LC3BALDH1A1HPGD
SCHEMBL4305977 0.70 ACHE (0.54) ALDH1A1HPGDSMN1; SMN2STK33KDM4E
SCHEMBL4311995 0.70 ACHE (0.43) ALDH1A1HPGDSMN1; SMN2STK33KDM4E
SCHEMBL5780391 0.69 ACHE (0.42) ALDH1A1HPGDSMN1; SMN2STK33KDM4E

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-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO disclosed