SCHEMBL4006070

SCHEMBL4006070

Nc1ccc(C(Cc2ccccc2)C(CS)C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.49
▸ P4HTM Q9NXG6 1/20 0.44
▸ CPA3 P15088 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ MME P08473 2/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39

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
SCHEMBL4013410 0.83 CPB2 (0.49) CPB2MMEGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL7384117 0.82 CPB2 (0.48) CPB2MMEGABRPGABRDGABRA1
SCHEMBL6060165 0.81 CPB2 (0.47) CPB2MMEGABRPGABRDGABRA1
SCHEMBL4010482 0.80 CPB2 (0.46) CPB2P4HTMMMEGABRPGABRD
SCHEMBL4007311 0.77 CPB2 (0.55) CPB2MMEGABRPGABRDGABRA1
SCHEMBL4007432 0.75 CPB2 (0.52) CPB2MMEGABRPGABRDGABRA1
SCHEMBL27463356 0.71 SLC6A2 (0.53) CPB2P4HTMGABRPGABRDGABRA1
SCHEMBL27517825 0.71 CPB2 (0.42) CPB2P4HTMGABRPGABRDGABRA1
SCHEMBL27544388 0.69 CPB2 (0.48) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL5073961 0.68 CPB2 (0.61) CPB2SLC1A3SLC1A2SLC1A1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009082340-A1 METHOD FOR MONITORING THE PROGRESSION OF FIBRINOLYSIS'646 ASTRAZENECA AB (SE) 2009-07-02 — — WO disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 — — US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 — — EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 — — WO disclosed
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