SCHEMBL6983416

SCHEMBL6983416

CC(NC(=O)C=C(O)C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.48

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
SCHEMBL19889050 0.83 HPGD (0.61) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL13645937 0.79 HPGD (0.67) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL23564994 0.75 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL21392846 0.75 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL5191019 0.74 HPGD (0.63) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL28903374 0.72 HPGD (0.58) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL6646499 0.72 KMT2A (0.57) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL6646506 0.72 KMT2A (0.57) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9577360 0.72 PTGS1 (0.62) HPGDKMT2AMEN1ALDH1A1
SCHEMBL27046360 0.72 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1LMNA

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-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed