SCHEMBL7209209

SCHEMBL7209209

COC1CN(Cc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GRM2 Q14416 2/20 0.43
ALDH1A1 P00352 2/20 0.42
EHMT2 Q96KQ7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL22330321 0.84 FKBP1A (0.49) KMT2AALDH1A1
SCHEMBL10341462 0.75 KMT2A (0.52) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13484174 0.75 HPGD (0.47) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL22593164 0.74 ALDH1A1 (0.56) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL6202791 0.74 TSHR (0.58) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9766998 0.73 HPGD (0.46) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL1920902 0.72 TSHR (0.45) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3201676 0.72 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3185962 0.72 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3201687 0.72 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251846-A4 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2003-03-12 EP disclosed
EP-1251846-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-30 EP disclosed
WO-2001056565-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-09 WO disclosed