SCHEMBL8008416

SCHEMBL8008416

CCOC(=O)CCC(N)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38

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
SCHEMBL6807832 0.86 PNMT (0.48) PNMTALDH1A1GAANPC1RAB9A
SCHEMBL6807840 0.86 PNMT (0.48) PNMTALDH1A1GAANPC1RAB9A
SCHEMBL6807838 0.85 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4970480 0.85 PNMT (0.49) PNMTALDH1A1GABRPGABRDGABRA1
SCHEMBL6810950 0.83 PNMT (0.49) PNMTALDH1A1GAAGABRPGABRD
SCHEMBL9188888 0.83 PNMT (0.49) PNMTALDH1A1GAAGABRPGABRD
SCHEMBL8190225 0.82 PNMT (0.50) PNMTALDH1A1GAAGABRPGABRD
Bromide SCHEMBL15671137 0.82 PNMT (0.54) PNMTALDH1A1GAAGABRPGABRD
SCHEMBL7037299 0.81 PNMT (0.52) PNMTALDH1A1GAAGABRPGABRD
SCHEMBL9188893 0.81 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720620-B1 GLUTATHIONE ANALOGS AND PARALOG PANELS COMPRISING GLUTATHIONE MIMICS TELIK INC (US) 2000-05-24 — — EP disclosed
US-6013462-A PURIFYING OR ANALYZING A HUMAN GLUTATHIONE-S-TRANSFERASE FROM A SAMPLE BY CONTACTING WITH A SOLID SUPPORT COUPLED TO TRIPEPTIDE ANALOG, AND ALLOWING ENZYME TO ADSORB TO SUPPORT TERRAPIN TECHNOLOGIES, INC. (US) 2000-01-11 — — US disclosed
EP-0645397-B1 Glutathione analogs and paralog panels comprising glutathione mimics TERRAPIN TECH INC (US) 1998-09-09 — — EP disclosed
US-5786336-A GRANULOCYTE MACROPHAGE PROGENITOR STIMULANTS, TRIPEPTIDES TERRAPIN TECHNOLOGIES, INC. (US) 1998-07-28 — — US disclosed
US-5763570-A Glutathione analogs and paralog panels comprising glutathione mimics TERRAPIN TECHNOLOGIES, INC. (US) 1998-06-09 — — US disclosed
US-5679643-A USUFUL AS CHROMATOGRAPHIC AFFINITY LIGANDS, BINDING REAGENTS, AND ENZYME INHIBITOR TERRAPIN TECHNOLOGIES, INC. (US) 1997-10-21 — — US disclosed
US-5599903-A TRIPEPTIDE; LIGAND, ENZYME INHIBITOR TERRAPIN TECHNOLOGIES, INC. (US) 1997-02-04 — — US disclosed
EP-0720620-A1 GLUTATHIONE ANALOGS AND PARALOG PANELS COMPRISING GLUTATHIONE MIMICS TERRAPIN TECHNOLOGIES, INC. (US) 1996-07-10 — — EP disclosed
WO-1995008563-A1 GLUTATHIONE ANALOGS AND PARALOG PANELS COMPRISING GLUTATHIONE MIMICS TERRAPIN TECHNOLOGIES, INC. (US) 1995-03-30 — — WO disclosed
EP-0645397-A1 Glutathione analogs and paralog panels comprising glutathione mimics TERRAPIN TECHNOLOGIES, INC. (US) 1995-03-29 — — EP disclosed
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