SCHEMBL7019336

SCHEMBL7019336

COC(=O)c1ccc(CCC(CNC(=O)OC(C)(C)C)SC(C)=O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.34
SYK P43405 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
PARP1 P09874 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7000492 0.91 SERPINE1 (0.37) SERPINE1NPSR1SYKPCSK9MAPT
SCHEMBL6993528 0.91 SERPINE1 (0.37) SERPINE1NPSR1SYKPCSK9MAPT
SCHEMBL6993531 0.91 SERPINE1 (0.37) SERPINE1NPSR1SYKPCSK9MAPT
SCHEMBL7029394 0.84 NPSR1 (0.40) SERPINE1NPSR1HPGDTSHRMAPK1
SCHEMBL6996062 0.80 SERPINE1 (0.37) SERPINE1NPSR1HPGDTSHRMAPK1
SCHEMBL6986607 0.80 SERPINE1 (0.37) SERPINE1NPSR1HPGDTSHRMAPK1
SCHEMBL6986606 0.80 SERPINE1 (0.37) SERPINE1NPSR1HPGDTSHRMAPK1
SCHEMBL5048246 0.76 TDP1 (0.44) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL8255339 0.76 HPGD (0.48) NPSR1HPGDTSHRMAPK1ATM
SCHEMBL7001569 0.75 SERPINE1 (0.37) SERPINE1NPSR1HPGDSYKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783507-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-07-16 EP claimed
US-5610319-A Compound useful as antiproliferative agents and GARFT inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1997-03-11 US claimed
WO-1996003407-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 WO claimed
EP-0783507-B1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMA (US) 2003-06-04 EP disclosed
EP-0783507-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-07-16 EP disclosed
US-5641774-A GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE INHIBITORS; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
US-5641771-A FUSED AMIDINE-CONTAINING NITROGEN HETEROCYCLE COMPOUNDS AS ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-24 US disclosed
US-5639749-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-17 US disclosed
US-5639747-A INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1997-06-17 US disclosed
US-5625061-A GRAFT=GLYCINAMIDE RIBONCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-04-29 US disclosed
US-5610319-A Compound useful as antiproliferative agents and GARFT inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1997-03-11 US disclosed
US-5594139-A FROM 5-HAL-2,6-DIAMINO-3H-4-OXOPYRIMIDINE AGOURON PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
WO-1996003407-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 WO disclosed