SCHEMBL6132385

SCHEMBL6132385

COCCCCCCCS(=O)(=O)c1ccc(-c2nc(-c3ccc(C(=O)O)c(C)c3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.47
RARA P10276 8/20 0.47
RARG P13631 8/20 0.47
MAPT P10636 1/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL6132679 0.89 NR1H4 (0.44) RARBRARARARGMAPTCA2
SCHEMBL6132909 0.89 NR1H4 (0.44) RARBRARARARGMAPTCA2
SCHEMBL6132386 0.84 MAPT (0.52) MAPTCA2CA9S1PR1
SCHEMBL6132384 0.84 MAPT (0.52) MAPTCA2CA9S1PR1
SCHEMBL7420362 0.76 ENPP3 (0.40) RARBS1PR1S1PR3
SCHEMBL6133069 0.75 TSHR (0.46) RARBMAPTCA2CA9
SCHEMBL6133194 0.73 HDAC4 (0.47) MAPTCA2CA9
SCHEMBL6132885 0.73 HDAC4 (0.47) MAPTCA2CA9
SCHEMBL6132663 0.73 RARB (0.55) RARBMAPTNR1H4S1PR1S1PR3
SCHEMBL6132571 0.73 RARB (0.55) RARBMAPTNR1H4S1PR1S1PR3

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