SCHEMBL6132534

SCHEMBL6132534

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(OCCCCOC)cc4)sc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.50
MAPT P10636 6/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
F2RL3 Q96RI0 2/20 0.43
TBXAS1 P24557 1/20 0.42
DHFR P00374 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 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
SCHEMBL7324188 0.90 CA12 (0.51) TP53MAPTCA12CA1CA2
SCHEMBL7321691 0.90 CA12 (0.51) TP53MAPTCA12CA1CA2
SCHEMBL7324602 0.90 CA12 (0.51) TP53MAPTCA12CA1CA2
SCHEMBL7318285 0.90 CA12 (0.51) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL6538606 0.88 TP53 (0.47) TP53MAPTCA12CA1CA2
SCHEMBL6132844 0.88 CA12 (0.53) TP53MAPTCA12CA1CA2
Trifluoroacetic Acid SCHEMBL7316392 0.87 TP53 (0.47) TP53MAPTCA12CA1CA2
SCHEMBL7350288 0.87 HRH3 (0.63) TP53MAPTKCNH2HRH3
SCHEMBL7326355 0.86 HRH3 (0.62) TP53MAPTKCNH2HRH3
SCHEMBL7312730 0.86 HRH3 (0.62) TP53MAPTKCNH2HRH3

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed